N,N-Diethyl-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
Basic information
- CAS
5578-58-5- Standard SMILES
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCC(C)C2- InChIKey
VIEOAWKHSGCSNG-UHFFFAOYSA-N- Molecular formula
- C19H24N2O2S2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.12792036
Names & identifiers
- Preferred name
- N,N-Diethyl-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
- IUPAC
- N,N-diethyl-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
5578-58-5N,N-DIETHYL-6-METHYL-2-(THIOPHENE-2-CARBONYLAMINO)-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXAMIDEOprea1_424417Oprea1_612893N,N-diethyl-6-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideCHEMBL229022BDBM24171DTXSID80386152thiophene containing compound, 34THIOPHENECONTAININGCOMPOUND34MFCD00782463STK026164
Show more names
AKOS000513972AKOS022079277N,N-Diethyl-6-methyl-2-[(thiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideST015668ZINC000001081630ZINC000001081631CCN(C(=O)c1c(NC(=O)c2cccs2)sc2c1CCC(C2)C)CCCCN(CC)C(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CS3
Database identifiers
- CAS
5578-58-5- PubChem CID
- 2854045
- DTXSID
DTXSID80386152- ChEMBL
CHEMBL229022
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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