2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

C22H23N2OS+ — CID 8860808

IUPAC2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C22H22N2OS/c1-3-18-14-13-17(2)24(15-18)16-22(25)23-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3/p+1
InChIKeyQLGBNZDEPGWXQR-UHFFFAOYSA-O
MW363.51 g/mol
LogP4.63
Rot. Bonds6

About 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 8860808) has the molecular formula C22H23N2OS+ and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID8860808
Molecular FormulaC22H23N2OS+
Molecular Weight363.51 g/mol
Exact Mass363.15
IUPAC Name2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCc1ccc(C)[n+](CC(=O)Nc2ccccc2Sc2ccccc2)c1
InChIInChI=1S/C22H22N2OS/c1-3-18-14-13-17(2)24(15-18)16-22(25)23-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3/p+1
InChIKeyQLGBNZDEPGWXQR-UHFFFAOYSA-O
XLogP4.63
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.63
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

N-(2,3-dimethylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8862566
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-nitrophenyl)acetamide
CID 8860902
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(4-tert-butylphenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetamide
CID 8862640
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3,5-dimethylbenzoate
CID 7749615
2-(4-ethylpyridin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 8857954
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660611
N-(2-phenylsulfanylphenyl)but-3-enamide
CID 162717598
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639171
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide (CID 8860808) is 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is CCc1ccc(C)[n+](CC(=O)Nc2ccccc2Sc2ccccc2)c1.
What is the InChIKey of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is QLGBNZDEPGWXQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N2OS/c1-3-18-14-13-17(2)24(15-18)16-22(25)23-20-11-7-8-12-21(20)26-19-9-5-4-6-10-19/h4-15H,3,16H2,1-2H3/p+1.
What are the key properties of 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylpyridin-1-ium-1-yl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 8860808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).