2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide

C18H18N2O5S — CID 9355977

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H18N2O5S/c1-3-24-17-9-13(11-19)7-8-16(17)25-12-18(21)20-14-5-4-6-15(10-14)26(2,22)23/h4-10H,3,12H2,1-2H3,(H,20,21)
InChIKeyHNRTXQLYFZSIEL-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.38
Rot. Bonds7

About 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9355977) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9355977
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C18H18N2O5S/c1-3-24-17-9-13(11-19)7-8-16(17)25-12-18(21)20-14-5-4-6-15(10-14)26(2,22)23/h4-10H,3,12H2,1-2H3,(H,20,21)
InChIKeyHNRTXQLYFZSIEL-UHFFFAOYSA-N
XLogP2.38
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 27287293
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(2-bromo-4-cyano-6-ethoxyphenoxy)-N-(3-cyanophenyl)acetamide
CID 38468772
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
CID 46411607
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354027
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide (CID 9355977) is 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is HNRTXQLYFZSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-3-24-17-9-13(11-19)7-8-16(17)25-12-18(21)20-14-5-4-6-15(10-14)26(2,22)23/h4-10H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9355977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).