2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Basic information
- CAS
52535-73-6- Standard SMILES
O=C(Nc1sc2c(c1C(=O)O)CCCC2)c1ccccc1- InChIKey
CMYBPWJIHAYXGS-UHFFFAOYSA-N- Molecular formula
- C16H15NO3S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.07726451
Names & identifiers
- Preferred name
- 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- IUPAC
- 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- English name
- 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
- Molecular formula
- C16H15NO3S
- Molecular weight
- 301.36
Names & synonyms
52535-73-62-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acidIFLab1_000928MFCD00416489Oprea1_519432SCHEMBL3916274DTXSID10351398HMS1414K04NSC805304SBB015196
Show more names
Benzo[b]thiophene-3-carboxylic acid, 2-(benzoylamino)-4,5,6,7-tetrahydro-
STK279669AKOS000272734NSC-8053042-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acidCS-0344982EN300-25322AG-690/36534052AH-357/02163042
Database identifiers
- CAS
52535-73-6- PubChem CID
- 699462
- DTXSID
DTXSID10351398
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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