3-[(oxolan-3-yl)sulfamoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 541428
• Molecular Formular: C16H19N3O4S2
• Molecular Mass: 381.46976
• Monoisotopic Mass: 381.0816981
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)NCCc2nccs2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NC1COCC1)NCCc1nccs1
• InChI: InChI=1S/C16H19N3O4S2/c20-16(18-6-4-15-17-7-9-24-15)12-2-1-3-14(10-12)25(21,22)19-13-5-8-23-11-13/h1-3,7,9-10,13,19H,4-6,8,11H2,(H,18,20)
• InChIKey: UDAWMZUSPWYCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(oxolan-3-yl)sulfamoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: 3-[(oxolan-3-yl)sulfamoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: 3-[(tetrahydrofuran-3-ylamino)sulfonyl]-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866432
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.4715395
• LogD (pH = 7.4): 0.47062358
• Log P: 0.47194046
• Molar Refractivity: 94.5452 cm^3
• Polarizability: 36.93227 Å^3
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.98
• LOG S: -2.82
• Polar Surface Area: 97.39 Å^2
• Rotatable Bonds: 6