N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 366619
• Molecular Formular: C18H20N4O3S
• Molecular Mass: 372.4414
• Monoisotopic Mass: 372.12561152
• SMILES: S(=O)(=O)(c1ccc(cc1)C)NCCCNC(=O)c1cn2c(ncc2)cc1
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)NCCCNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C18H20N4O3S/c1-14-3-6-16(7-4-14)26(24,25)21-10-2-9-20-18(23)15-5-8-17-19-11-12-22(17)13-15/h3-8,11-13,21H,2,9-10H2,1H3,(H,20,23)
• InChIKey: ICSSNQCRHQUEBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(4-methylbenzenesulfonamido)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.403878
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.40600187
• LogD (pH = 7.4): 1.0133383
• Log P: 1.0386746
• Molar Refractivity: 100.9617 cm^3
• Polarizability: 38.304337 Å^3
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.78
• LOG S: -3.44
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 6