N-[4-(5-ethylfuran-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide

• ChemBase ID: 849275
• Molecular Formular: C16H18N2O4S
• Molecular Mass: 334.39012
• Monoisotopic Mass: 334.09872807
• SMILES: S(=O)(=O)(Nc1cc2NC(=O)CC(c3oc(cc3)CC)c2cc1)C
• Canonical SMILES: CCc1ccc(o1)C1CC(=O)Nc2c1ccc(c2)NS(=O)(=O)C
• InChI: InChI=1S/C16H18N2O4S/c1-3-11-5-7-15(22-11)13-9-16(19)17-14-8-10(4-6-12(13)14)18-23(2,20)21/h4-8,13,18H,3,9H2,1-2H3,(H,17,19)
• InChIKey: QUKSZRWWQSMEEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(5-ethylfuran-2-yl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide
• IUPAC Traditional name: N-[4-(5-ethylfuran-2-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]methanesulfonamide
• Synonyms: N-[4-(5-ethyl-2-furyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.465408
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0149161
• LogD (pH = 7.4): 1.0116638
• Log P: 1.0149578
• Molar Refractivity: 87.6543 cm^3
• Polarizability: 33.577198 Å^3
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.87
• LOG S: -3.23
• Polar Surface Area: 88.41 Å^2
• Rotatable Bonds: 3