N-(2-chlorophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Basic information
- CAS
5666-90-0- Standard SMILES
CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC(C)C2- InChIKey
PXNQMKTVKKAVFB-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O2S
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.1012268
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- N-(2-chlorophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
5666-90-0N-(2-chlorophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideSTK080002N-(2-CHLOROPHENYL)-6-METHYL-2-(PROPANOYLAMINO)-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXAMIDECBMicro_027515Oprea1_482995DTXSID80386339N-(2-CHLOROPHENYL)-6-METHYL-2-PROPANAMIDO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDEAKOS001655915AKOS021994907BIM-0027394.P001SR-01000462333
Show more names
SR-01000462333-1N-(2-chlorophenyl)-6-methyl-2-(propionylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Database identifiers
- CAS
5666-90-0- PubChem CID
- 2859809
- DTXSID
DTXSID80386339
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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