2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(2,4-dioxo-thiazolidin-5-ylmethyl)-pyrazin-2-yl]-propionamide

HCID 10459846

Notes Reactions

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Basic information

Standard SMILES: CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnc(CC3SC(=O)NC3=O)cn2)cc1Cl
InChIKey: MLHOQMZPSCAVOH-UHFFFAOYSA-N
Molecular formula: C23H25ClN4O5S2
Average molar mass: 537.1 g/mol

Names & identifiers

Preferred name: 2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(2,4-dioxo-thiazolidin-5-ylmethyl)-pyrazin-2-yl]-propionamide
IUPAC: 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]pyrazin-2-yl]propanamide

Names & synonyms

SCHEMBL2644680SCHEMBL2664478MLHOQMZPSCAVOH-UHFFFAOYSA-N2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(2,4-dioxo-thiazolidin-5-ylmethyl)-pyrazin-2-yl]-propionamide

Database identifiers

PubChem CID: 10459846

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 169 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 908

Related reactions

2 records

New reaction record

HRID 154431As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 719880As productuspto-grants-2006_11

Compound notes

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