4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(ethanesulfonyl)ethyl]benzamide

• ChemBase ID: 420761
• Molecular Formular: C14H17N3O5S
• Molecular Mass: 339.36688
• Monoisotopic Mass: 339.08889166
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCS(=O)(=O)CC)cc1
• Canonical SMILES: CCS(=O)(=O)CCNC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C14H17N3O5S/c1-2-23(21,22)8-7-15-13(19)10-3-5-11(6-4-10)17-9-12(18)16-14(17)20/h3-6H,2,7-9H2,1H3,(H,15,19)(H,16,18,20)
• InChIKey: PTAFDJYFJPMPRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(ethanesulfonyl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(ethanesulfonyl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(ethylsulfonyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.3056971
• LogD (pH = 7.4): -1.3147758
• Log P: -1.3055799
• Molar Refractivity: 82.4285 cm^3
• Polarizability: 32.05791 Å^3
• Polar Surface Area: 112.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.09
• LOG S: -2.05
• Polar Surface Area: 112.65 Å^2
• Rotatable Bonds: 6