N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-4-sulfamoylbutanamide

• ChemBase ID: 396582
• Molecular Formular: C16H26N2O5S
• Molecular Mass: 358.45304
• Monoisotopic Mass: 358.15624294
• SMILES: S(=O)(=O)(N)CCCC(=O)N(Cc1ccc(cc1)OCC)CCOC
• Canonical SMILES: COCCN(C(=O)CCCS(=O)(=O)N)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C16H26N2O5S/c1-3-23-15-8-6-14(7-9-15)13-18(10-11-22-2)16(19)5-4-12-24(17,20)21/h6-9H,3-5,10-13H2,1-2H3,(H2,17,20,21)
• InChIKey: FIXQNEPASAHXMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-4-sulfamoylbutanamide
• IUPAC Traditional name: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-4-sulfamoylbutanamide
• Synonyms: 4-(aminosulfonyl)-N-(4-ethoxybenzyl)-N-(2-methoxyethyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.700947
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.13764046
• LogD (pH = 7.4): 0.13762152
• Log P: 0.13764077
• Molar Refractivity: 92.2132 cm^3
• Polarizability: 36.68317 Å^3
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.2
• LOG S: -2.83
• Polar Surface Area: 98.93 Å^2
• Rotatable Bonds: 11