5-Chlorothieno[3,2-b]pyridine-2-sulfonic acid [1-(2-amino-5-cyanobenzyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide

HCID 54056382
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Basic information

Standard SMILES
N#Cc1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
InChIKey
LWOFMEKHHPTRCA-AWEZNQCLSA-N
Molecular formula
C19H16ClN5O3S2
Average molar mass
461.9 g/mol

Names & identifiers

Preferred name
5-Chlorothieno[3,2-b]pyridine-2-sulfonic acid [1-(2-amino-5-cyanobenzyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide
IUPAC
N-[(3S)-1-[(2-amino-5-cyanophenyl)methyl]-2-oxopyrrolidin-3-yl]-5-chlorothieno[3,2-b]pyridine-2-sulfonamide

Names & synonyms

LWOFMEKHHPTRCA-AWEZNQCLSA-N5-Chlorothieno[3,2-b]pyridine-2-sulfonic acid [1-(2-amino-5-cyanobenzyl)-2-oxo-pyrrolidin-3-(S)-yl]-amide

Database identifiers

PubChem CID
54056382

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
166 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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