(1R,2R,4R)-2-Methoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide

HCID 59619258
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Basic information

Standard SMILES
CO[C@@H]1C[C@H](S(=O)(=O)c2ccc(-c3ccnc(C)c3)cc2C(F)(F)F)C[C@H]1C(=O)NC1(C#N)CC1
InChIKey
XUIXCMUHKGWEJS-QWFCFKBJSA-N
Molecular formula
C24H24F3N3O4S
Average molar mass
507.5 g/mol

Names & identifiers

Preferred name
(1R,2R,4R)-2-Methoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
IUPAC
(1R,2R,4R)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-(2-methyl-4-pyridinyl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Names & synonyms

(1R,2R,4R)-2-Methoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139222

Database identifiers

PubChem CID
59619258

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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