Basic information
- CAS
1165-22-6- Standard SMILES
CCC(=O)N(c1ccccc1)C1CCN(CCc2cccs2)CC1- InChIKey
YMRFZDHYDKZXPA-UHFFFAOYSA-N- Molecular formula
- C20H26N2OS
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.17658463
Overview
Thienylfentanyl is an anilide resulting from the formal condensation of the aryl amino group of N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is an anilide, a member of piperidines, a member of thiophenes and a tertiary amino compound.
Names & identifiers
- Preferred name
- Thiofentanyl
- IUPAC
- N-phenyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
- English name
- 1-[2-(2-Thienyl)ethyl]-4-(N-propionylanilino)piperidine
- Molecular formula
- C20H26N2OS
- Molecular weight
- 342.5
Names & synonyms
ThiofentanylThienylfentanylthienylfentanil1165-22-6N-(1-(beta-(2-Thienyl)ethyl)-4-piperidyl)propioanilideBRN 0495808CHEBI:61099N-Phenyl-N-(1-((2-thienyl)ethyl)-4-piperidinyl)propanamideNSC 665714NSC-665714IDS-NT-005Propionanilide, N-(1-(2-(2-thienyl)ethyl)-4-piperidyl)-
Show more names
YMRFZDHYDKZXPA-UHFFFAOYSA-N1-[2-(2-Thienyl)ethyl]-4-(N-propionylanilino)piperidineN-[1-[2-(2-Thienyl)ethyl]-4-piperidinyl]-N-phenylpropionamidePropanamide, N-phenyl-N-[1-[2-(2-thienyl)ethyl]-4-piperidinyl]-
954535Y32YDTXSID00151400IDS-NT-005(SECT.3)5-22-08-00089 (Beilstein Handbook Reference)N-phenyl-N-{1-[2-(2-thienyl)ethyl]piperidin-4-yl}propanamideN-(1-(2-(THIENYL)ETHYL)-4-PIPERIDYL)PROPIONANILIDEN-PHENYL-N-(1-(2-(2-THIENYL)ETHYL)PIPERIDIN-4-YL)PROPANAMIDEPROPANAMIDE, N-PHENYL-N-(1-(2-(2-THIENYL)ETHYL)-4-PIPERIDINYL)-
Database identifiers
- CAS
1165-22-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- FDA UNII
- 954535 Y32Y · 954535Y32Y
- DEA Controlled Substances
- 9835 CSA · CSCN: 9835CSA SCH: Schedule INARC: Yes
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Safety data
- DEA Controlled Substances
- CSCN: 9835CSA SCH: Schedule INARC: Yes
Chemistry & industry
Additional notes
DefinitionChEBI: An anilide resulting from the formal condensation of the aryl amino group of N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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