2-(3-Phenylpropanoylamino)thiophene-3-carboxamide
Basic information
- CAS
895944-45-3- Standard SMILES
NC(=O)c1ccsc1NC(=O)CCc1ccccc1- InChIKey
MRHYPLORPSPYDS-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2S
- Average molar mass
- 274.34 g/mol
- Monoisotopic mass
- 274.07759887
Names & identifiers
- Preferred name
- 2-(3-Phenylpropanoylamino)thiophene-3-carboxamide
- IUPAC
- 2-(3-phenylpropanoylamino)thiophene-3-carboxamide
Names & synonyms
2-(3-phenylpropanoylamino)thiophene-3-carboxamide895944-45-3CHEMBL15673472-(3-phenylpropanamido)thiophene-3-carboxamide2-[(3-phenylpropanoyl)amino]-3-thiophenecarboxamideMLS001007941DTXSID201329285HMS2835J23BDBM50342358STK470466AKOS003375080SMR000498234
Show more names
ST508629282-[(3-phenylpropanoyl)amino]thiophene-3-carboxamideZ29084301
Database identifiers
- CAS
895944-45-3- PubChem CID
- 2970548
- DTXSID
DTXSID201329285- ChEMBL
CHEMBL1567347
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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