N-(1-methoxypropan-2-yl)-3-[(oxan-4-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 668156
• Molecular Formular: C17H26N2O5S
• Molecular Mass: 370.46374
• Monoisotopic Mass: 370.15624294
• SMILES: S(=O)(=O)(c1cc(C(=O)NC(COC)C)ccc1)NCC1CCOCC1
• Canonical SMILES: COCC(NC(=O)c1cccc(c1)S(=O)(=O)NCC1CCOCC1)C
• InChI: InChI=1S/C17H26N2O5S/c1-13(12-23-2)19-17(20)15-4-3-5-16(10-15)25(21,22)18-11-14-6-8-24-9-7-14/h3-5,10,13-14,18H,6-9,11-12H2,1-2H3,(H,19,20)
• InChIKey: BUENQXWRNAAKJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-3-[(oxan-4-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-3-[(oxan-4-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-(2-methoxy-1-methylethyl)-3-{[(tetrahydro-2H-pyran-4-ylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.88297
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6686393
• LogD (pH = 7.4): 0.66739225
• Log P: 0.6686554
• Molar Refractivity: 95.8435 cm^3
• Polarizability: 37.5707 Å^3
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.81
• LOG S: -2.59
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 7