N-ethyl-3-{[1-(4-hydroxyphenyl)propyl]sulfamoyl}-N-methylbenzamide

• ChemBase ID: 528761
• Molecular Formular: C19H24N2O4S
• Molecular Mass: 376.46986
• Monoisotopic Mass: 376.14567826
• SMILES: S(=O)(=O)(NC(c1ccc(cc1)O)CC)c1cc(C(=O)N(CC)C)ccc1
• Canonical SMILES: CCC(c1ccc(cc1)O)NS(=O)(=O)c1cccc(c1)C(=O)N(CC)C
• InChI: InChI=1S/C19H24N2O4S/c1-4-18(14-9-11-16(22)12-10-14)20-26(24,25)17-8-6-7-15(13-17)19(23)21(3)5-2/h6-13,18,20,22H,4-5H2,1-3H3
• InChIKey: SAWGENMEKNQATM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{[1-(4-hydroxyphenyl)propyl]sulfamoyl}-N-methylbenzamide
• IUPAC Traditional name: N-ethyl-3-{[1-(4-hydroxyphenyl)propyl]sulfamoyl}-N-methylbenzamide
• Synonyms: N-ethyl-3-({[1-(4-hydroxyphenyl)propyl]amino}sulfonyl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.331164
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8176966
• LogD (pH = 7.4): 2.8128803
• Log P: 2.8177583
• Molar Refractivity: 102.2693 cm^3
• Polarizability: 39.68826 Å^3
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.04
• LOG S: -3.11
• Polar Surface Area: 86.71 Å^2
• Rotatable Bonds: 6