Basic information
- CAS
5534-31-6- Standard SMILES
NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2- InChIKey
WUXSRILVTCNVAY-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- 2-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amide
- IUPAC
- 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Names & synonyms
5534-31-62-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid amideMLS001206402SMR0005235522-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide2-(benzoylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamideTimTec1_007806Oprea1_139999Oprea1_278044cid_712900SCHEMBL5453337CHEMBL1449597
Show more names
BDBM76651DTXSID50970688HMS1556C18HMS2816P19EBC-73148STK100393AKOS000603089IDI1_033460
Database identifiers
- CAS
5534-31-6- PubChem CID
- 712900
- DTXSID
DTXSID50970688- ChEMBL
CHEMBL1449597
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Experimental & physicochemical properties
Solubility1.3 [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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