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

C17H19NO3S — CID 24581463

IUPAC2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C17H19NO3S/c1-3-20-15-6-4-5-7-16(15)21-12-17(19)18-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyKXDMDMVQHLHURM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.82
Rot. Bonds7

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

2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 24581463) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID24581463
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccc(SC)cc1
InChIInChI=1S/C17H19NO3S/c1-3-20-15-6-4-5-7-16(15)21-12-17(19)18-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyKXDMDMVQHLHURM-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
N-(4-aminophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649158
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
3-ethoxy-4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 3976698
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide (CID 24581463) is 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide is CCOc1ccccc1OCC(=O)Nc1ccc(SC)cc1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is KXDMDMVQHLHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-20-15-6-4-5-7-16(15)21-12-17(19)18-13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide?
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 24581463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).