N-[(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)methyl]thiophene-2-sulfonamide

• ChemBase ID: 472723
• Molecular Formular: C18H20N4O3S2
• Molecular Mass: 404.5064
• Monoisotopic Mass: 404.09768252
• SMILES: c1(nc2n(c1)cccc2)C(=O)N1CC(CNS(=O)(=O)c2sccc2)CCC1
• Canonical SMILES: O=C(c1nc2n(c1)cccc2)N1CCCC(C1)CNS(=O)(=O)c1cccs1
• InChI: InChI=1S/C18H20N4O3S2/c23-18(15-13-21-8-2-1-6-16(21)20-15)22-9-3-5-14(12-22)11-19-27(24,25)17-7-4-10-26-17/h1-2,4,6-8,10,13-14,19H,3,5,9,11-12H2
• InChIKey: LKPOWBFQYXNXAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)methyl]thiophene-2-sulfonamide
• IUPAC Traditional name: N-[(1-{imidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)methyl]thiophene-2-sulfonamide
• Synonyms: N-{[1-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-piperidinyl]methyl}-2-thiophenesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.798527
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.526895
• LogD (pH = 7.4): 1.5164831
• Log P: 1.5315769
• Molar Refractivity: 103.9967 cm^3
• Polarizability: 40.076256 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.34
• LOG S: -4.7
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4