2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(4-methylbenzenesulfonamido)propyl]acetamide

• ChemBase ID: 728982
• Molecular Formular: C15H20N4O5S
• Molecular Mass: 368.4081
• Monoisotopic Mass: 368.11544076
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCCNS(=O)(=O)c1ccc(cc1)C
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCCNS(=O)(=O)c1ccc(cc1)C
• InChI: InChI=1S/C15H20N4O5S/c1-11-3-5-12(6-4-11)25(23,24)18-8-2-7-16-13(20)10-19-14(21)9-17-15(19)22/h3-6,18H,2,7-10H2,1H3,(H,16,20)(H,17,22)
• InChIKey: RDRNVNYDPCFQBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(4-methylbenzenesulfonamido)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[3-(4-methylbenzenesulfonamido)propyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.387198
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.1270238
• LogD (pH = 7.4): -1.1274166
• Log P: -1.1270188
• Molar Refractivity: 89.7965 cm^3
• Polarizability: 35.154083 Å^3
• Polar Surface Area: 124.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.67
• LOG S: -2.62
• Polar Surface Area: 124.68 Å^2
• Rotatable Bonds: 7