N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-sulfamoylthiophene-2-carboxamide

• ChemBase ID: 680574
• Molecular Formular: C14H14N4O3S2
• Molecular Mass: 350.41596
• Monoisotopic Mass: 350.05073233
• SMILES: c1(S(=O)(=O)N)c(C(=O)NCc2nc3n(c2)cc(cc3)C)scc1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)CNC(=O)c1sccc1S(=O)(=O)N
• InChI: InChI=1S/C14H14N4O3S2/c1-9-2-3-12-17-10(8-18(12)7-9)6-16-14(19)13-11(4-5-22-13)23(15,20)21/h2-5,7-8H,6H2,1H3,(H,16,19)(H2,15,20,21)
• InChIKey: CUTYJTAVWPFSRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-sulfamoylthiophene-2-carboxamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-sulfamoylthiophene-2-carboxamide
• Synonyms: 3-(aminosulfonyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.9668865
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.065983616
• LogD (pH = 7.4): 0.6345585
• Log P: 0.67214435
• Molar Refractivity: 88.0909 cm^3
• Polarizability: 33.398884 Å^3
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.49
• LOG S: -2.17
• Polar Surface Area: 106.56 Å^2
• Rotatable Bonds: 4