Basic information
- Standard SMILES
NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2- InChIKey
MUPKQHJSQBTFOY-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10889899
Names & identifiers
- Preferred name
- 2-(2-Phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
301680-57-9CHEMBL3786512-(2-phenylacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-(2-phenylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideOprea1_127874Oprea1_130347CBDivE_011033SCHEMBL5453222MUPKQHJSQBTFOY-UHFFFAOYSA-NBDBM50185105EBC-00620
Show more names
STK064662AKOS000291688ST020049EN300-26867713SR-01000416025SR-01000416025-1Z273584832-(2-phenylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Database identifiers
- PubChem CID
- 678543
- ChEMBL
CHEMBL378651
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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