N-(1,1-dioxo-1λ6-thian-4-yl)-N,2,3,6-tetramethylquinoline-4-carboxamide

• ChemBase ID: 766163
• Molecular Formular: C19H24N2O3S
• Molecular Mass: 360.47046
• Monoisotopic Mass: 360.15076364
• SMILES: C(=O)(c1c2c(nc(c1C)C)ccc(c2)C)N(C1CCS(=O)(=O)CC1)C
• Canonical SMILES: CN(C(=O)c1c(C)c(C)nc2c1cc(C)cc2)C1CCS(=O)(=O)CC1
• InChI: InChI=1S/C19H24N2O3S/c1-12-5-6-17-16(11-12)18(13(2)14(3)20-17)19(22)21(4)15-7-9-25(23,24)10-8-15/h5-6,11,15H,7-10H2,1-4H3
• InChIKey: GSBBHQKWLBOORE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N,2,3,6-tetramethylquinoline-4-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thian-4-yl)-N,2,3,6-tetramethylquinoline-4-carboxamide
• Synonyms: N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-N,2,3,6-tetramethyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4150735
• LogD (pH = 7.4): 1.426995
• Log P: 1.4271492
• Molar Refractivity: 99.355 cm^3
• Polarizability: 39.55988 Å^3
• Polar Surface Area: 67.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.14
• LOG S: -2.8
• Polar Surface Area: 67.34 Å^2
• Rotatable Bonds: 2