N-methyl-3-[(4-methyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-N-(piperidin-4-yl)benzamide

• ChemBase ID: 833996
• Molecular Formular: C19H27N3O3S
• Molecular Mass: 377.50098
• Monoisotopic Mass: 377.17731274
• SMILES: S(=O)(=O)(N1CC=C(CC1)C)c1cc(C(=O)N(C2CCNCC2)C)ccc1
• Canonical SMILES: CC1=CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N(C1CCNCC1)C
• InChI: InChI=1S/C19H27N3O3S/c1-15-8-12-22(13-9-15)26(24,25)18-5-3-4-16(14-18)19(23)21(2)17-6-10-20-11-7-17/h3-5,8,14,17,20H,6-7,9-13H2,1-2H3
• InChIKey: DEZNOKTXVMQMHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[(4-methyl-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-N-(piperidin-4-yl)benzamide
• IUPAC Traditional name: N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-ylsulfonyl)-N-(piperidin-4-yl)benzamide
• Synonyms: N-methyl-3-[(4-methyl-3,6-dihydropyridin-1(2H)-yl)sulfonyl]-N-piperidin-4-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3640723
• LogD (pH = 7.4): -1.6791761
• Log P: 0.8560925
• Molar Refractivity: 104.4241 cm^3
• Polarizability: 40.366047 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -3.32
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3