N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)pentanamide
Basic information
- CAS
847164-20-9- Standard SMILES
CCCCC(=O)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1- InChIKey
ZBNSOFJNZLXMTD-UHFFFAOYSA-N- Molecular formula
- C16H22FNO3S
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.1304429
Names & identifiers
- Preferred name
- N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)pentanamide
- IUPAC
- N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide
- English name
- N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)pentanamide
- Molecular formula
- C16H22FNO3S
- Molecular weight
- 327.41
Names & synonyms
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)pentanamide847164-20-9MLS000762488CHEMBL1706167DTXSID401333103HMS2785H10N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamideSTK906979AKOS002829284AKOS016160103SMR000438041N-(1,1-Dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]pentanamide
Show more names
Pentanamide, N-[(4-fluorophenyl)methyl]-N-(tetrahydro-1,1-dioxido-3-thienyl)-
Pentanoic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-(4-fluoro-benzyl)-amide
Database identifiers
- CAS
847164-20-9- PubChem CID
- 4244101
- DTXSID
DTXSID401333103- ChEMBL
CHEMBL1706167
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Solubility46.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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