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

• ChemBase ID: 694535
• Molecular Formular: C17H21N3O3S2
• Molecular Mass: 379.49694
• Monoisotopic Mass: 379.10243355
• SMILES: S(=O)(=O)(N1C(c2nccs2)CCCC1)c1cc(C(=O)N(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1c1nccs1)C
• InChI: InChI=1S/C17H21N3O3S2/c1-19(2)17(21)13-6-5-7-14(12-13)25(22,23)20-10-4-3-8-15(20)16-18-9-11-24-16/h5-7,9,11-12,15H,3-4,8,10H2,1-2H3
• InChIKey: CUUFHVGDDCRFGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8432178
• LogD (pH = 7.4): 1.8433739
• Log P: 1.8433759
• Molar Refractivity: 97.9164 cm^3
• Polarizability: 38.02643 Å^3
• Polar Surface Area: 70.58 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: 1.61
• LOG S: -3.34
• Polar Surface Area: 70.58 Å^2
• Rotatable Bonds: 3