(1S,2S,4S)-4-[4-(3,5-Dimethyl-isoxazol-4-yl)-2-trifluoromethyl-benzenesulfonyl]-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide

HCID 59619448
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Basic information

Standard SMILES
Cc1noc(C)c1-c1ccc(S(=O)(=O)[C@@H]2C[C@H](OC(C)C)[C@@H](C(=O)NC3(C#N)CC3)C2)c(C(F)(F)F)c1
InChIKey
OJYDXQIALGMRQS-BJLQDIEVSA-N
Molecular formula
C25H28F3N3O5S
Average molar mass
539.6 g/mol

Names & identifiers

Preferred name
(1S,2S,4S)-4-[4-(3,5-Dimethyl-isoxazol-4-yl)-2-trifluoromethyl-benzenesulfonyl]-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide
IUPAC
(1S,2S,4S)-N-(1-cyanocyclopropyl)-4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-2-propan-2-yloxycyclopentane-1-carboxamide

Names & synonyms

(1S,2S,4S)-4-[4-(3,5-Dimethyl-isoxazol-4-yl)-2-trifluoromethyl-benzenesulfonyl]-2-isopropoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139216

Database identifiers

PubChem CID
59619448

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
37

Related reactions

1 records
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Compound notes

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