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

HCID 59619212
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Basic information

Standard SMILES
CCO[C@H]1C[C@@H](S(=O)(=O)c2ccc(-c3c(C)noc3C)cc2C(F)(F)F)C[C@@H]1C(=O)NC1(C#N)CC1
InChIKey
NTLMDYFUKOSPGX-LNLFQRSKSA-N
Molecular formula
C24H26F3N3O5S
Average molar mass
525.5 g/mol

Names & identifiers

Preferred name
(1S,2S,4S)-4-[4-(3,5-Dimethyl-isoxazol-4-yl)-2-trifluoromethyl-benzenesulfonyl]-2-ethoxy-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-ethoxycyclopentane-1-carboxamide

Names & synonyms

(1S,2S,4S)-4-[4-(3,5-Dimethyl-isoxazol-4-yl)-2-trifluoromethyl-benzenesulfonyl]-2-ethoxy-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139320

Database identifiers

PubChem CID
59619212

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
131 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
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Compound notes

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