1-ethyl-N,6-dimethyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 347749
• Molecular Formular: C19H24N2O2S
• Molecular Mass: 344.47106
• Monoisotopic Mass: 344.15584902
• SMILES: c1(c(=O)n(c(cc1)C)CC)C(=O)N(CCSc1ccc(cc1)C)C
• Canonical SMILES: CCn1c(C)ccc(c1=O)C(=O)N(CCSc1ccc(cc1)C)C
• InChI: InChI=1S/C19H24N2O2S/c1-5-21-15(3)8-11-17(19(21)23)18(22)20(4)12-13-24-16-9-6-14(2)7-10-16/h6-11H,5,12-13H2,1-4H3
• InChIKey: CCUAWWZJCXJPRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N,6-dimethyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N,6-dimethyl-N-{2-[(4-methylphenyl)sulfanyl]ethyl}-2-oxopyridine-3-carboxamide
• Synonyms: 1-ethyl-N,6-dimethyl-N-{2-[(4-methylphenyl)thio]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7107449
• LogD (pH = 7.4): 2.710745
• Log P: 2.710745
• Molar Refractivity: 103.2919 cm^3
• Polarizability: 38.439926 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.98
• LOG S: -4.25
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 6