Basic information
- CAS
4437-48-3- Standard SMILES
CCc1c(C)sc(NC(=O)C=Cc2ccc(C)o2)c1C(N)=O- InChIKey
KJILOWMBMBDNGS-UHFFFAOYSA-N- Molecular formula
- C16H18N2O3S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.10381361
Names & identifiers
- Preferred name
- 4-Ethyl-5-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]thiophene-3-carboxamide
- IUPAC
- 4-ethyl-5-methyl-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]thiophene-3-carboxamide
Names & synonyms
4437-48-3DTXSID20963209N-(3-Carbamoyl-4-ethyl-5-methylthiophen-2-yl)-3-(5-methylfuran-2-yl)prop-2-enimidic acid
Database identifiers
- CAS
4437-48-3- PubChem CID
- 898769
- DTXSID
DTXSID20963209
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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