Cas no 109817-23-4 (Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-)

Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]- structure
109817-23-4 structure
Product Name:Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
CAS No:109817-23-4
MF:C17H23N3O3S2
MW:381.512821435928
CID:1194290
PubChem ID:4063616
Update Time:2025-04-20

Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
    • N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]octanamide
    • SCHEMBL13212155
    • SMR000231178
    • CHEMBL1864260
    • HMS2558M07
    • DTXSID70398921
    • AKOS003266365
    • STK326528
    • 109817-23-4
    • N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}octanamide
    • MLS000705591
    • Inchi: 1S/C17H23N3O3S2/c1-2-3-4-5-6-7-16(21)19-14-8-10-15(11-9-14)25(22,23)20-17-18-12-13-24-17/h8-13H,2-7H2,1H3,(H,18,20)(H,19,21)
    • InChI Key: KFFTZJOQEVBEDA-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)NC(CCCCCCC)=O)(NC1=NC=CS1)(=O)=O

Computed Properties

  • Exact Mass: 381.11829
  • Monoisotopic Mass: 381.11808395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 10
  • Complexity: 500
  • 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: 2.9
  • Topological Polar Surface Area: 125?2

Experimental Properties

  • PSA: 88.16

Octanamide, N-[4-[(2-thiazolylamino)sulfonyl]phenyl]- Related Literature

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