3-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-methyl-N-(oxolan-3-yl)benzamide

• ChemBase ID: 391509
• Molecular Formular: C19H29N3O5S
• Molecular Mass: 411.51566
• Monoisotopic Mass: 411.18279204
• SMILES: S(=O)(=O)(N1CCC(Oc2cc(C(=O)N(C3CCOC3)C)ccc2)CC1)N(C)C
• Canonical SMILES: CN(C(=O)c1cccc(c1)OC1CCN(CC1)S(=O)(=O)N(C)C)C1COCC1
• InChI: InChI=1S/C19H29N3O5S/c1-20(2)28(24,25)22-10-7-17(8-11-22)27-18-6-4-5-15(13-18)19(23)21(3)16-9-12-26-14-16/h4-6,13,16-17H,7-12,14H2,1-3H3
• InChIKey: BAADOCZWVJUVOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-methyl-N-(oxolan-3-yl)benzamide
• IUPAC Traditional name: 3-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-methyl-N-(oxolan-3-yl)benzamide
• Synonyms: 3-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-methyl-N-(tetrahydro-3-furanyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.24517111
• LogD (pH = 7.4): -0.24516968
• Log P: -0.24516965
• Molar Refractivity: 106.8945 cm^3
• Polarizability: 42.06963 Å^3
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.04
• LOG S: -3.28
• Polar Surface Area: 79.39 Å^2
• Rotatable Bonds: 4