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

• ChemBase ID: 413564
• Molecular Formular: C25H29N3O5S
• Molecular Mass: 483.57986
• Monoisotopic Mass: 483.18279204
• SMILES: S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)CC2CCCC2)ccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)CC1CCCC1
• InChI: InChI=1S/C25H29N3O5S/c1-17-23(16-26-24(29)14-18-6-3-4-7-18)27-25(33-17)19-8-5-9-20(15-19)28-34(30,31)22-12-10-21(32-2)11-13-22/h5,8-13,15,18,28H,3-4,6-7,14,16H2,1-2H3,(H,26,29)
• InChIKey: IRKSJJLQZPRAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)acetamide
• IUPAC Traditional name: 2-cyclopentyl-N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)acetamide
• Synonyms: 2-cyclopentyl-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): 3.3518648
• LogD (pH = 7.4): 3.2679863
• Log P: 3.3530848
• Molar Refractivity: 138.8854 cm^3
• Polarizability: 50.949142 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: 3.8
• LOG S: -5.53
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 7