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

• ChemBase ID: 560729
• Molecular Formular: C14H18N4O5S
• Molecular Mass: 354.38152
• Monoisotopic Mass: 354.0997907
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCN(S(=O)(=O)C)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCN(S(=O)(=O)C)C
• InChI: InChI=1S/C14H18N4O5S/c1-17(24(2,22)23)8-7-15-13(20)10-3-5-11(6-4-10)18-9-12(19)16-14(18)21/h3-6H,7-9H2,1-2H3,(H,15,20)(H,16,19,21)
• InChIKey: LNHKYKRNQZFCMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(N-methylmethanesulfonamido)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(N-methylmethanesulfonamido)ethyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-{2-[methyl(methylsulfonyl)amino]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7538091
• LogD (pH = 7.4): -1.7628878
• Log P: -1.7536919
• Molar Refractivity: 85.5868 cm^3
• Polarizability: 33.22169 Å^3
• Polar Surface Area: 115.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.84
• LOG S: -2.38
• Polar Surface Area: 115.89 Å^2
• Rotatable Bonds: 5