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

• ChemBase ID: 369567
• Molecular Formular: C26H31N3O5S
• Molecular Mass: 497.60644
• Monoisotopic Mass: 497.19844211
• SMILES: S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)CC2CCCCC2)ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)CC1CCCCC1
• InChI: InChI=1S/C26H31N3O5S/c1-18-24(17-27-25(30)15-19-7-4-3-5-8-19)28-26(34-18)20-9-6-10-21(16-20)29-35(31,32)23-13-11-22(33-2)12-14-23/h6,9-14,16,19,29H,3-5,7-8,15,17H2,1-2H3,(H,27,30)
• InChIKey: NUZTVYPJYCFMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.9997616
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.7964334
• LogD (pH = 7.4): 3.712555
• Log P: 3.7976534
• Molar Refractivity: 143.4864 cm^3
• Polarizability: 52.787014 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: 4.36
• LOG S: -5.9
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 7