2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Basic information
- CAS
307341-55-5- Standard SMILES
O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccccc1- InChIKey
JEEWRTJYBDZVBA-UHFFFAOYSA-N- Molecular formula
- C15H13NO3S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.06161445
Names & identifiers
- Preferred name
- 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
- IUPAC
- 2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
- English name
- 2-(Benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
- Molecular formula
- C15H13NO3S
- Molecular weight
- 287.33
Names & synonyms
307341-55-52-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid2-(BENZOYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACIDMFCD01121930MLS000026912SMR0001228342-Benzoylamino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acidEnamine_001690Oprea1_424512Oprea1_683241cid_722255CHEMBL1573389
Show more names
AURORA 20297CHEMBRDG-BB 56665222-Benzamido-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic Acid2-(benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxy4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-(benzoylamino)-5,6-dihydro-2-(benzoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid(SALTDATA: FREE)
SCHEMBL21247366BDBM48452DTXSID80352276HMS1398M18HMS2373C16AKOS000565175CCG-287812DB-028967
Database identifiers
- CAS
307341-55-5- PubChem CID
- 722255
- DTXSID
DTXSID80352276- ChEMBL
CHEMBL1573389
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 396.8 · 396.8±42.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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