2-(dimethyl-1,3-thiazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

• ChemBase ID: 728900
• Molecular Formular: C14H17N3O3S2
• Molecular Mass: 339.43308
• Monoisotopic Mass: 339.07113342
• SMILES: S(=O)(=O)(c1ccc(CNC(=O)Cc2sc(nc2C)C)cc1)N
• Canonical SMILES: O=C(Cc1sc(nc1C)C)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H17N3O3S2/c1-9-13(21-10(2)17-9)7-14(18)16-8-11-3-5-12(6-4-11)22(15,19)20/h3-6H,7-8H2,1-2H3,(H,16,18)(H2,15,19,20)
• InChIKey: CUULOAQRHQWDBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.21724
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.40201074
• LogD (pH = 7.4): 0.40328923
• Log P: 0.40389854
• Molar Refractivity: 84.8797 cm^3
• Polarizability: 33.29668 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.19
• LOG S: -2.82
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 5