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

• ChemBase ID: 392290
• Molecular Formular: C24H29N3O5S
• Molecular Mass: 471.56916
• Monoisotopic Mass: 471.18279204
• SMILES: S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)C(CC)CC)ccc1)c1ccc(cc1)OC
• Canonical SMILES: CCC(C(=O)NCc1nc(oc1C)c1cccc(c1)NS(=O)(=O)c1ccc(cc1)OC)CC
• InChI: InChI=1S/C24H29N3O5S/c1-5-17(6-2)23(28)25-15-22-16(3)32-24(26-22)18-8-7-9-19(14-18)27-33(29,30)21-12-10-20(31-4)11-13-21/h7-14,17,27H,5-6,15H2,1-4H3,(H,25,28)
• InChIKey: FBNMMUFUSCNPTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.9997606
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.6269894
• LogD (pH = 7.4): 3.5431106
• Log P: 3.628209
• Molar Refractivity: 136.1125 cm^3
• Polarizability: 49.834194 Å^3
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.6
• LOG S: -5.04
• Polar Surface Area: 110.53 Å^2
• Rotatable Bonds: 6