S22153   Click here for help

GtoPdb Ligand ID: 1361

Synonyms: S 22153 | S-22153
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 57.34
Molecular weight 247.1
XLogP 3.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1ccc2c(c1)c(CCNC(=O)C)cs2
Isomeric SMILES CCc1ccc2c(c1)c(CCNC(=O)C)cs2
InChI InChI=1S/C14H17NOS/c1-3-11-4-5-14-13(8-11)12(9-17-14)6-7-15-10(2)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)
InChI Key PICRXJDULXLJCZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]acetamide
Synonyms Click here for help
S 22153 | S-22153
Database Links Click here for help
CAS Registry No. 180304-07-8 (source: Scifinder)
GtoPdb PubChem SID 135650965
PubChem CID 9816339
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