N-{[2-(2-ethanesulfonamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-methoxyphenyl)furan-2-carboxamide

• ChemBase ID: 598136
• Molecular Formular: C25H25N3O6S
• Molecular Mass: 495.5475
• Monoisotopic Mass: 495.14640654
• SMILES: c1(nc(c(o1)C)CNC(=O)c1oc(cc1)c1ccc(cc1)OC)c1c(NS(=O)(=O)CC)cccc1
• Canonical SMILES: COc1ccc(cc1)c1ccc(o1)C(=O)NCc1nc(oc1C)c1ccccc1NS(=O)(=O)CC
• InChI: InChI=1S/C25H25N3O6S/c1-4-35(30,31)28-20-8-6-5-7-19(20)25-27-21(16(2)33-25)15-26-24(29)23-14-13-22(34-23)17-9-11-18(32-3)12-10-17/h5-14,28H,4,15H2,1-3H3,(H,26,29)
• InChIKey: FWJGADWDLZWGGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-ethanesulfonamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-methoxyphenyl)furan-2-carboxamide
• IUPAC Traditional name: N-{[2-(2-ethanesulfonamidophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(4-methoxyphenyl)furan-2-carboxamide
• Synonyms: N-[(2-{2-[(ethylsulfonyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-5-(4-methoxyphenyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.7728963
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.3696182
• LogD (pH = 7.4): 2.2387316
• Log P: 2.3716683
• Molar Refractivity: 140.5076 cm^3
• Polarizability: 51.953327 Å^3
• Polar Surface Area: 123.67 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 3.54
• LOG S: -6.25
• Polar Surface Area: 123.67 Å^2
• Rotatable Bonds: 6