2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide

C21H21NO2S — CID 42900557

IUPAC2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCSc1ccc(OCC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2S/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)22-21(23)14-24-19-9-11-20(25-2)12-10-19/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyYWYWTJCLMRROKK-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide

2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 42900557) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID42900557
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCSc1ccc(OCC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO2S/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)22-21(23)14-24-19-9-11-20(25-2)12-10-19/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyYWYWTJCLMRROKK-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552366
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553139
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28552015
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
N-(3-methylbutan-2-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 134007912

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide (CID 42900557) is 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide is CSc1ccc(OCC(=O)NC(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is YWYWTJCLMRROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15(17-8-7-16-5-3-4-6-18(16)13-17)22-21(23)14-24-19-9-11-20(25-2)12-10-19/h3-13,15H,14H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide?
2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 42900557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).