N-(butan-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide

• ChemBase ID: 619433
• Molecular Formular: C19H23N3O2S
• Molecular Mass: 357.46982
• Monoisotopic Mass: 357.15109799
• SMILES: C(=O)(N(Cc1cscc1)C(CC)C)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: CCC(N(C(=O)c1cccc(c1)N1CCNC1=O)Cc1cscc1)C
• InChI: InChI=1S/C19H23N3O2S/c1-3-14(2)22(12-15-7-10-25-13-15)18(23)16-5-4-6-17(11-16)21-9-8-20-19(21)24/h4-7,10-11,13-14H,3,8-9,12H2,1-2H3,(H,20,24)
• InChIKey: KPEOSYFTYFQTQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-3-(2-oxoimidazolidin-1-yl)-N-(thiophen-3-ylmethyl)benzamide
• IUPAC Traditional name: 3-(2-oxoimidazolidin-1-yl)-N-(sec-butyl)-N-(thiophen-3-ylmethyl)benzamide
• Synonyms: N-(sec-butyl)-3-(2-oxoimidazolidin-1-yl)-N-(3-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8924406
• LogD (pH = 7.4): 2.8924408
• Log P: 2.8924408
• Molar Refractivity: 99.9229 cm^3
• Polarizability: 37.746777 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -4.28
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6