(S)-1-(1-(2-ethylpyrimidin-5-yl)piperidin-4-yl)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)pyrrolidin-2-one

HCID 54670710
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Basic information

Standard SMILES
CCc1ncc(N2CCC(N3CC[C@H](Nc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)cn1
InChIKey
UHGXNMBXTOIRNM-FQEVSTJZSA-N
Molecular formula
C22H28FN5O3S
Average molar mass
461.6 g/mol
Monoisotopic mass
461.18968911

Names & identifiers

Preferred name
(S)-1-(1-(2-ethylpyrimidin-5-yl)piperidin-4-yl)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)pyrrolidin-2-one
IUPAC
(3S)-1-[1-(2-ethylpyrimidin-5-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)pyrrolidin-2-one

Names & synonyms

SCHEMBL15023005UHGXNMBXTOIRNM-FQEVSTJZSA-N(S)-1-(1-(2-ethylpyrimidin-5-yl)piperidin-4-yl)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)pyrrolidin-2-one

Database identifiers

PubChem CID
54670710

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
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Compound notes

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