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

• ChemBase ID: 631154
• Molecular Formular: C15H19N3O3S2
• Molecular Mass: 353.45966
• Monoisotopic Mass: 353.08678348
• SMILES: S(=O)(=O)(c1ccc(cc1)CCNC(=O)Cc1sc(nc1C)C)N
• Canonical SMILES: O=C(Cc1sc(nc1C)C)NCCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C15H19N3O3S2/c1-10-14(22-11(2)18-10)9-15(19)17-8-7-12-3-5-13(6-4-12)23(16,20)21/h3-6H,7-9H2,1-2H3,(H,17,19)(H2,16,20,21)
• InChIKey: NKOLYXVOOFJVMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.223802
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.69067204
• LogD (pH = 7.4): 0.6919592
• Log P: 0.6925598
• Molar Refractivity: 89.6347 cm^3
• Polarizability: 35.128025 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.16
• LOG S: -3.22
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 6