N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
Basic information
- CAS
896294-47-6- Standard SMILES
CNC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C- InChIKey
BLGGUNJHHTYXHR-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.07251349
Names & identifiers
- Preferred name
- N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
- IUPAC
- N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
Names & synonyms
896294-47-6N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamideN-(4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl)furan-2-carboxamideMLS001234327CHEMBL1411699DTXSID301330570HMS3034B06AKOS024662415SMR000811544F2590-0297
Database identifiers
- CAS
896294-47-6- PubChem CID
- 7520892
- DTXSID
DTXSID301330570- ChEMBL
CHEMBL1411699
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility11.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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