N-[1-(furan-2-yl)ethyl]-N-methyl-2-[(thiophen-2-ylmethyl)amino]benzamide

• ChemBase ID: 572525
• Molecular Formular: C19H20N2O2S
• Molecular Mass: 340.4393
• Monoisotopic Mass: 340.12454889
• SMILES: C(=O)(c1c(NCc2sccc2)cccc1)N(C(c1occc1)C)C
• Canonical SMILES: CC(N(C(=O)c1ccccc1NCc1cccs1)C)c1ccco1
• InChI: InChI=1S/C19H20N2O2S/c1-14(18-10-5-11-23-18)21(2)19(22)16-8-3-4-9-17(16)20-13-15-7-6-12-24-15/h3-12,14,20H,13H2,1-2H3
• InChIKey: XWVPSTGWJRMJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)ethyl]-N-methyl-2-[(thiophen-2-ylmethyl)amino]benzamide
• IUPAC Traditional name: N-[1-(furan-2-yl)ethyl]-N-methyl-2-[(thiophen-2-ylmethyl)amino]benzamide
• Synonyms: N-[1-(2-furyl)ethyl]-N-methyl-2-[(2-thienylmethyl)amino]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.653042
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2326064
• LogD (pH = 7.4): 4.232665
• Log P: 4.2326655
• Molar Refractivity: 98.0484 cm^3
• Polarizability: 36.3678 Å^3
• Polar Surface Area: 45.48 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: 3.42
• LOG S: -4.61
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6