N,N-dimethyl-3-{[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzamide

• ChemBase ID: 822760
• Molecular Formular: C18H25N3O4S
• Molecular Mass: 379.4738
• Monoisotopic Mass: 379.1565773
• SMILES: S(=O)(=O)(N1CC(N2C(=O)CCC2)CCC1)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: O=C1CCCN1C1CCCN(C1)S(=O)(=O)c1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C18H25N3O4S/c1-19(2)18(23)14-6-3-8-16(12-14)26(24,25)20-10-4-7-15(13-20)21-11-5-9-17(21)22/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3
• InChIKey: XUMKXVIYCUIGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzamide
• IUPAC Traditional name: N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-ylsulfonyl]benzamide
• Synonyms: N,N-dimethyl-3-{[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.26272732
• LogD (pH = 7.4): 0.2627275
• Log P: 0.2627275
• Molar Refractivity: 99.2779 cm^3
• Polarizability: 38.501724 Å^3
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.06
• LOG S: -3.33
• Polar Surface Area: 78.0 Å^2
• Rotatable Bonds: 3