Basic information
- CAS
353764-53-1- Standard SMILES
NC(=O)c1c(NC(=O)CCCCl)sc2c1CCCCCC2- InChIKey
MLSGIXHIRPCWNG-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2O2S
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1012268
Names & identifiers
- Preferred name
- 2-[(4-Chlorobutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
- IUPAC
- 2-(4-chlorobutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
- English name
- 2-[(4-CHLOROBUTANOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE
- Molecular formula
- C15H21ClN2O2S
- Molecular weight
- 328.86
Names & synonyms
2-[(4-chlorobutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide353764-53-12-(4-Chlorobutanamido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamideSTK957995AKOS0038873612-(4-chlorobutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamideAK-968/12571018
Database identifiers
- CAS
353764-53-1- PubChem CID
- 4059409
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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