n-(2-Oxo-2-{[1-(tetrahydro-2h-thiopyran-4-yl)pyrrolidin-3-yl]amino}ethyl)-3-(trifluoromethyl)benzamide

HCID 67005295
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Basic information

Standard SMILES
O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCSCC2)C1
InChIKey
BLQUHWWSMGEGTI-UHFFFAOYSA-N
Molecular formula
C19H24F3N3O2S
Average molar mass
415.5 g/mol

Names & identifiers

Preferred name
n-(2-Oxo-2-{[1-(tetrahydro-2h-thiopyran-4-yl)pyrrolidin-3-yl]amino}ethyl)-3-(trifluoromethyl)benzamide
IUPAC
N-[2-oxo-2-[[1-(thian-4-yl)pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

Names & synonyms

n-(2-oxo-2-{[1-(tetrahydro-2h-thiopyran-4-yl)pyrrolidin-3-yl]amino}ethyl)-3-(trifluoromethyl)benzamideSCHEMBL1361320

Database identifiers

PubChem CID
67005295

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
86.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Compound notes

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