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

C18H18N2O4S — CID 51247133

IUPAC2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-13(15-5-9-17(10-6-15)25(2,22)23)20-18(21)12-24-16-7-3-14(11-19)4-8-16/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyMKWHIZGNBNFZKT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.22
Rot. Bonds6

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

2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 51247133) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID51247133
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-13(15-5-9-17(10-6-15)25(2,22)23)20-18(21)12-24-16-7-3-14(11-19)4-8-16/h3-10,13H,12H2,1-2H3,(H,20,21)
InChIKeyMKWHIZGNBNFZKT-UHFFFAOYSA-N
XLogP2.22
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26468206
N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 26468178
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 51247133) is 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(NC(=O)COc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is MKWHIZGNBNFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-13(15-5-9-17(10-6-15)25(2,22)23)20-18(21)12-24-16-7-3-14(11-19)4-8-16/h3-10,13H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 51247133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).