N-{3-Cyano-6-[(2,4-dichlorobenzyl)amino]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-2-ethylbutanamide

HCID 10072447
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Basic information

Standard SMILES
CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(NCc1ccc(Cl)cc1Cl)C2
InChIKey
OXVREYZLDHCCPI-UHFFFAOYSA-N
Molecular formula
C22H25Cl2N3OS
Average molar mass
450.4 g/mol

Names & identifiers

Preferred name
N-{3-Cyano-6-[(2,4-dichlorobenzyl)amino]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-2-ethylbutanamide
IUPAC
N-[3-cyano-6-[(2,4-dichlorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide

Names & synonyms

SCHEMBL4039285OXVREYZLDHCCPI-UHFFFAOYSA-NN-{3-Cyano-6-[(2,4-dichlorobenzyl)amino]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-2-ethylbutanamide

Database identifiers

PubChem CID
10072447

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
93.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
29

Related reactions

2 records
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Compound notes

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