N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
Basic information
- CAS
4370-86-9- Standard SMILES
Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCC(C(C)(C)C)C2- InChIKey
DHUBEWYHEWPAPH-UHFFFAOYSA-N- Molecular formula
- C26H34N2O2S
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.23409951
Names & identifiers
- Preferred name
- N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
- IUPAC
- N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
Names & synonyms
N-[6-tert-butyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamideAC1MFQ2SOprea1_480342CHEMBL1436867DTXSID90387635HMS1799I20MFCD03017418AKOS001677021AKOS021999952NCGC00099806-01EU-0011772SR-01000494971
Show more names
SR-01000494971-1N-[6-tert-butyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide
Database identifiers
- CAS
4370-86-9- PubChem CID
- 2898523
- DTXSID
DTXSID90387635- ChEMBL
CHEMBL1436867
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
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Compound notes
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