2,2-dimethyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]propanamide

• ChemBase ID: 246718
• Molecular Formular: C11H18N2O3S2
• Molecular Mass: 290.40222
• Monoisotopic Mass: 290.07588445
• SMILES: S(=O)(=O)(c1sc(cc1)CCNC(=O)C(C)(C)C)N
• Canonical SMILES: O=C(C(C)(C)C)NCCc1ccc(s1)S(=O)(=O)N
• InChI: InChI=1S/C11H18N2O3S2/c1-11(2,3)10(14)13-7-6-8-4-5-9(17-8)18(12,15)16/h4-5H,6-7H2,1-3H3,(H,13,14)(H2,12,15,16)
• InChIKey: BKPLADZUDINSCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11101759
• PubChem SID: 164302628
• PubChem CID: 43133892

CALCULATED PROPERTIES

• Acid pKa: 8.815606
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6907798
• LogD (pH = 7.4): 1.6764976
• Log P: 1.6909666
• Molar Refractivity: 70.7507 cm^3
• Polarizability: 28.470144 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 0.293

Product Information

• Purity: 95%