N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 596125
• Molecular Formular: C24H23N3O5S2
• Molecular Mass: 497.58652
• Monoisotopic Mass: 497.10791285
• SMILES: S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)Cc2cscc2)ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)Cc1cscc1
• InChI: InChI=1S/C24H23N3O5S2/c1-16-22(14-25-23(28)12-17-10-11-33-15-17)26-24(32-16)18-4-3-5-19(13-18)27-34(29,30)21-8-6-20(31-2)7-9-21/h3-11,13,15,27H,12,14H2,1-2H3,(H,25,28)
• InChIKey: YGWABMFPGXJAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-{[2-(3-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.9997597
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.1091118
• LogD (pH = 7.4): 3.0252326
• Log P: 3.1103315
• Molar Refractivity: 139.5368 cm^3
• Polarizability: 50.735672 Å^3
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.35
• LOG S: -5.38
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 7