N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide

• ChemBase ID: 265684
• Molecular Formular: C8H12N2O3S2
• Molecular Mass: 248.32248
• Monoisotopic Mass: 248.02893425
• SMILES: S(=O)(=O)(c1sc(cc1)CCNC(=O)C)N
• Canonical SMILES: CC(=O)NCCc1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C8H12N2O3S2/c1-6(11)10-5-4-7-2-3-8(14-7)15(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)(H2,9,12,13)
• InChIKey: CHQIACJKJNFSLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
• Synonyms: N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide

Database IDs

• MDL Number: MFCD11133620
• PubChem SID: 164321594
• PubChem CID: 43133893

CALCULATED PROPERTIES

• Acid pKa: 8.815605
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.10875597
• LogD (pH = 7.4): -0.123038895
• Log P: -0.10856982
• Molar Refractivity: 57.0483 cm^3
• Polarizability: 23.001621 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): -0.944

Product Information

• Purity: 95%