4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

• ChemBase ID: 404972
• Molecular Formular: C19H26N4O4S2
• Molecular Mass: 438.56414
• Monoisotopic Mass: 438.13954733
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC(c2nccs2)C)cc1)N(C)C
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)S(=O)(=O)N(C)C)NC(c1nccs1)C
• InChI: InChI=1S/C19H26N4O4S2/c1-14(19-20-10-13-28-19)21-18(24)15-4-6-16(7-5-15)27-17-8-11-23(12-9-17)29(25,26)22(2)3/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3,(H,21,24)
• InChIKey: WOOLWHZOOWZAFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• IUPAC Traditional name: 4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
• Synonyms: 4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.847125
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.65495414
• LogD (pH = 7.4): 0.65512234
• Log P: 0.6551245
• Molar Refractivity: 112.0296 cm^3
• Polarizability: 43.969086 Å^3
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.65
• LOG S: -5.54
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 5