2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H21NO5S — CID 18096228

IUPAC2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S/c1-13(14-8-10-15(11-9-14)25(3,21)22)19-18(20)12-24-17-7-5-4-6-16(17)23-2/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFPEUVNFOLHXIOR-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.35
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 18096228) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID18096228
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21NO5S/c1-13(14-8-10-15(11-9-14)25(3,21)22)19-18(20)12-24-17-7-5-4-6-16(17)23-2/h4-11,13H,12H2,1-3H3,(H,19,20)
InChIKeyFPEUVNFOLHXIOR-UHFFFAOYSA-N
XLogP2.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
N-[1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 17489088
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
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
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 18096228) is 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is COc1ccccc1OCC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is FPEUVNFOLHXIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13(14-8-10-15(11-9-14)25(3,21)22)19-18(20)12-24-17-7-5-4-6-16(17)23-2/h4-11,13H,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 18096228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).