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

C21H21NO4S — CID 26468178

IUPACN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21NO4S/c1-15(16-8-11-20(12-9-16)27(2,24)25)22-21(23)14-26-19-10-7-17-5-3-4-6-18(17)13-19/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyWGZJGZRTFTVNRR-OAHLLOKOSA-N
MW383.47 g/mol
LogP3.50
Rot. Bonds6

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

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 26468178) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID26468178
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H21NO4S/c1-15(16-8-11-20(12-9-16)27(2,24)25)22-21(23)14-26-19-10-7-17-5-3-4-6-18(17)13-19/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyWGZJGZRTFTVNRR-OAHLLOKOSA-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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247133
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide (CID 26468178) is N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide is C[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is WGZJGZRTFTVNRR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15(16-8-11-20(12-9-16)27(2,24)25)22-21(23)14-26-19-10-7-17-5-3-4-6-18(17)13-19/h3-13,15H,14H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide?
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-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-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 26468178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).