N-({2-[2-(3-fluorobenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-6-methylpyridine-2-carboxamide

• ChemBase ID: 340414
• Molecular Formular: C24H21FN4O4S
• Molecular Mass: 480.5113432
• Monoisotopic Mass: 480.12675439
• SMILES: S(=O)(=O)(Nc1c(c2nc(c(o2)C)CNC(=O)c2nc(ccc2)C)cccc1)c1cc(F)ccc1
• Canonical SMILES: Cc1cccc(n1)C(=O)NCc1nc(oc1C)c1ccccc1NS(=O)(=O)c1cccc(c1)F
• InChI: InChI=1S/C24H21FN4O4S/c1-15-7-5-12-21(27-15)23(30)26-14-22-16(2)33-24(28-22)19-10-3-4-11-20(19)29-34(31,32)18-9-6-8-17(25)13-18/h3-13,29H,14H2,1-2H3,(H,26,30)
• InChIKey: LBBVFEUSGROHTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(3-fluorobenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-6-methylpyridine-2-carboxamide
• IUPAC Traditional name: N-({2-[2-(3-fluorobenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-6-methylpyridine-2-carboxamide
• Synonyms: N-{[2-(2-{[(3-fluorophenyl)sulfonyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-6-methyl-2-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.006324
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.9377587
• LogD (pH = 7.4): 2.5166101
• Log P: 2.9496455
• Molar Refractivity: 134.1954 cm^3
• Polarizability: 48.059746 Å^3
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 3.85
• LOG S: -6.6
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 6