3-[(2,2-dimethylmorpholin-4-yl)sulfonyl]-N-(oxolan-3-ylmethyl)benzamide

• ChemBase ID: 653607
• Molecular Formular: C18H26N2O5S
• Molecular Mass: 382.47444
• Monoisotopic Mass: 382.15624294
• SMILES: S(=O)(=O)(N1CC(OCC1)(C)C)c1cc(C(=O)NCC2COCC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CCOC(C1)(C)C)NCC1COCC1
• InChI: InChI=1S/C18H26N2O5S/c1-18(2)13-20(7-9-25-18)26(22,23)16-5-3-4-15(10-16)17(21)19-11-14-6-8-24-12-14/h3-5,10,14H,6-9,11-13H2,1-2H3,(H,19,21)
• InChIKey: JTWKNRJCNKWMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,2-dimethylmorpholin-4-yl)sulfonyl]-N-(oxolan-3-ylmethyl)benzamide
• IUPAC Traditional name: 3-(2,2-dimethylmorpholin-4-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
• Synonyms: 3-[(2,2-dimethylmorpholin-4-yl)sulfonyl]-N-(tetrahydrofuran-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.006205
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.598371
• LogD (pH = 7.4): 0.59837115
• Log P: 0.5983712
• Molar Refractivity: 98.7096 cm^3
• Polarizability: 38.68671 Å^3
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.14
• LOG S: -2.96
• Polar Surface Area: 84.94 Å^2
• Rotatable Bonds: 4