2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide

C17H19NO2S — CID 46669396

IUPAC2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C17H19NO2S/c1-3-13-6-4-5-7-16(13)20-12-17(19)18-14-8-10-15(21-2)11-9-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyCPLQWTIEQIRHCG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.99
Rot. Bonds6

About 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide

2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 46669396) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID46669396
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C17H19NO2S/c1-3-13-6-4-5-7-16(13)20-12-17(19)18-14-8-10-15(21-2)11-9-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyCPLQWTIEQIRHCG-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 55549107
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
2-(2-ethylphenoxy)-N-pyridin-2-ylacetamide
CID 47111739
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649158

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide (CID 46669396) is 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is CCc1ccccc1OCC(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is CPLQWTIEQIRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-13-6-4-5-7-16(13)20-12-17(19)18-14-8-10-15(21-2)11-9-14/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46669396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).