N-(2-methanesulfonylethyl)-3-(2-methoxyphenyl)benzamide

• ChemBase ID: 683447
• Molecular Formular: C17H19NO4S
• Molecular Mass: 333.40206
• Monoisotopic Mass: 333.10347909
• SMILES: S(=O)(=O)(CCNC(=O)c1cc(c2c(OC)cccc2)ccc1)C
• Canonical SMILES: COc1ccccc1c1cccc(c1)C(=O)NCCS(=O)(=O)C
• InChI: InChI=1S/C17H19NO4S/c1-22-16-9-4-3-8-15(16)13-6-5-7-14(12-13)17(19)18-10-11-23(2,20)21/h3-9,12H,10-11H2,1-2H3,(H,18,19)
• InChIKey: SKGOYARGIBOJPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methanesulfonylethyl)-3-(2-methoxyphenyl)benzamide
• IUPAC Traditional name: N-(2-methanesulfonylethyl)-3-(2-methoxyphenyl)benzamide
• Synonyms: 2'-methoxy-N-[2-(methylsulfonyl)ethyl]biphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.013452
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2168087
• LogD (pH = 7.4): 1.2168088
• Log P: 1.2168088
• Molar Refractivity: 89.6999 cm^3
• Polarizability: 36.31821 Å^3
• Polar Surface Area: 72.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -2.71
• Polar Surface Area: 72.47 Å^2
• Rotatable Bonds: 6