N-[2-(3-methanesulfonamidopropyl)-4-methylphenyl]-3-methoxybenzamide

• ChemBase ID: 745801
• Molecular Formular: C19H24N2O4S
• Molecular Mass: 376.46986
• Monoisotopic Mass: 376.14567826
• SMILES: S(=O)(=O)(NCCCc1c(NC(=O)c2cc(OC)ccc2)ccc(c1)C)C
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1ccc(cc1CCCNS(=O)(=O)C)C
• InChI: InChI=1S/C19H24N2O4S/c1-14-9-10-18(15(12-14)7-5-11-20-26(3,23)24)21-19(22)16-6-4-8-17(13-16)25-2/h4,6,8-10,12-13,20H,5,7,11H2,1-3H3,(H,21,22)
• InChIKey: UARBXEGLQTVOAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methanesulfonamidopropyl)-4-methylphenyl]-3-methoxybenzamide
• IUPAC Traditional name: N-[2-(3-methanesulfonamidopropyl)-4-methylphenyl]-3-methoxybenzamide
• Synonyms: 3-methoxy-N-(4-methyl-2-{3-[(methylsulfonyl)amino]propyl}phenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.035451
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5937643
• LogD (pH = 7.4): 2.5937555
• Log P: 2.5937645
• Molar Refractivity: 103.9701 cm^3
• Polarizability: 39.90152 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.64
• LOG S: -4.2
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 7