N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide

C21H21NO4S — CID 17489088

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESCC(NC(=O)COc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21NO4S/c1-15(16-10-12-18(13-11-16)27(2,24)25)22-21(23)14-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyBXOYZTWCIXQMEB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds6

About N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide

N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide (PubChem CID 17489088) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
PubChem CID17489088
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
SMILESCC(NC(=O)COc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21NO4S/c1-15(16-10-12-18(13-11-16)27(2,24)25)22-21(23)14-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23)
InChIKeyBXOYZTWCIXQMEB-UHFFFAOYSA-N
XLogP3.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92679204
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
2-naphthalen-1-yloxy-N-(1-phenylethylcarbamothioyl)acetamide
CID 3392220
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096240
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide (CID 17489088) is N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide is CC(NC(=O)COc1cccc2ccccc12)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
The InChIKey is BXOYZTWCIXQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15(16-10-12-18(13-11-16)27(2,24)25)22-21(23)14-26-20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15H,14H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 17489088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).