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

HCID 59619502
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCO[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
CDHICINDLPRGJD-ZJOUEHCJSA-N
Molecular formula
C25H26F3N3O4S
Average molar mass
521.6 g/mol
Monoisotopic mass
521.15961198

Names & identifiers

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

Names & synonyms

(1S,2S,4S)-2-Ethoxy-4-[4-(2-methyl-pyridin-4-yl)-2-trifluoromethyl-benzenesulfonyl]-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amideSCHEMBL1139132

Database identifiers

PubChem CID
59619502

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
36

Related reactions

1 records
New reaction record

Compound notes

Loading…