2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C16H19N2OS+ — CID 8857954

IUPAC2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H18N2OS/c1-3-13-8-10-18(11-9-13)12-16(19)17-14-6-4-5-7-15(14)20-2/h4-11H,3,12H2,1-2H3/p+1
InChIKeyYEKWJAREDWVMFR-UHFFFAOYSA-O
MW287.41 g/mol
LogP2.90
Rot. Bonds5

About 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 8857954) has the molecular formula C16H19N2OS+ and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID8857954
Molecular FormulaC16H19N2OS+
Molecular Weight287.41 g/mol
Exact Mass287.12
IUPAC Name2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCc1cc[n+](CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H18N2OS/c1-3-13-8-10-18(11-9-13)12-16(19)17-14-6-4-5-7-15(14)20-2/h4-11H,3,12H2,1-2H3/p+1
InChIKeyYEKWJAREDWVMFR-UHFFFAOYSA-O
XLogP2.90
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpyridin-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 8857732
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-methylphenyl)acetamide
CID 8857721
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8857926
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-(2-iodophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827070
dimethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8857832
N-(2-fluorophenyl)-2-pyridin-1-ium-1-ylacetamide;hydrochloride
CID 126958727
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 8860808
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
N-(tert-butylcarbamoyl)-2-(4-ethylpyridin-1-ium-1-yl)acetamide
CID 8856962
[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105955

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 8857954) is 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CCc1cc[n+](CC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is YEKWJAREDWVMFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2OS/c1-3-13-8-10-18(11-9-13)12-16(19)17-14-6-4-5-7-15(14)20-2/h4-11H,3,12H2,1-2H3/p+1.
What are the key properties of 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 8857954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).