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

• ChemBase ID: 400290
• Molecular Formular: C24H27N3O5S
• Molecular Mass: 469.55328
• Monoisotopic Mass: 469.16714198
• SMILES: S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)C2CCCC2)ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)C1CCCC1
• InChI: InChI=1S/C24H27N3O5S/c1-16-22(15-25-23(28)17-6-3-4-7-17)26-24(32-16)18-8-5-9-19(14-18)27-33(29,30)21-12-10-20(31-2)11-13-21/h5,8-14,17,27H,3-4,6-7,15H2,1-2H3,(H,25,28)
• InChIKey: HRXAIBTUXUXVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.99976
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.1632633
• LogD (pH = 7.4): 3.0793846
• Log P: 3.1644833
• Molar Refractivity: 134.3103 cm^3
• Polarizability: 49.111862 Å^3
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.18
• LOG S: -5.0
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 6