Cas no 6168-63-4 (N-(2,4-dimethylphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide)
6168-63-4 structure
Product Name:N-(2,4-dimethylphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
CAS No:6168-63-4
MF:C22H21N3O5S
MW:439.4842441082
CID:1628562
PubChem ID:2888984
Update Time:2025-04-21
N-(2,4-dimethylphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide Chemical and Physical Properties
Names and Identifiers
-
- N-(2,4-dimethylphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide
- acetamide, N-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)(phenylsulfonyl)amino]-
- 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4-dimethylphenyl)acetamide
- STL123900
- AKOS000610040
- AG-690/11203168
- N-(2,4-dimethylphenyl)-2-[(4-nitrophenyl)(phenylsulfonyl)amino]acetamide
- 6168-63-4
- N-(2,4-dimethylphenyl)-2-[{4-nitrophenyl}(phenylsulfonyl)amino]acetamide
- AB00103276-01
- Oprea1_609059
- DTXSID30387412
- Cambridge id 6168634
-
- Inchi： 1S/C22H21N3O5S/c1-16-8-13-21(17(2)14-16)23-22(26)15-24(18-9-11-19(12-10-18)25(27)28)31(29,30)20-6-4-3-5-7-20/h3-14H,15H2,1-2H3,(H,23,26)
- InChI Key： GWKHMUKJQXVVME-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N(C1C=CC(=CC=1)[N+](=O)[O-])CC(NC1C=CC(C)=CC=1C)=O)(=O)=O
Computed Properties
- Exact Mass: 439.12033
- Monoisotopic Mass: 439.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 718
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 121?2
Experimental Properties
- Density: 1.377
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.656
- PSA: 109.62
N-(2,4-dimethylphenyl)-N~2~-(4-nitrophenyl)-N~2~-(phenylsulfonyl)glycinamide Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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