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

• ChemBase ID: 354587
• Molecular Formular: C26H24FN3O4S
• Molecular Mass: 493.5498632
• Monoisotopic Mass: 493.14715548
• SMILES: S(=O)(=O)(Nc1c(c2nc(c(o2)C)CNC(=O)CCc2ccccc2)cccc1)c1cc(F)ccc1
• Canonical SMILES: O=C(NCc1nc(oc1C)c1ccccc1NS(=O)(=O)c1cccc(c1)F)CCc1ccccc1
• InChI: InChI=1S/C26H24FN3O4S/c1-18-24(17-28-25(31)15-14-19-8-3-2-4-9-19)29-26(34-18)22-12-5-6-13-23(22)30-35(32,33)21-11-7-10-20(27)16-21/h2-13,16,30H,14-15,17H2,1H3,(H,28,31)
• InChIKey: WZRLTZWOBRIDFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.006321
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.0630403
• LogD (pH = 7.4): 3.6417973
• Log P: 4.0748315
• Molar Refractivity: 140.7852 cm^3
• Polarizability: 51.04683 Å^3
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.97
• LOG S: -6.39
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 8