2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide

C18H18N2O4S — CID 47078845

IUPAC2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C18H18N2O4S/c1-2-25(22,23)17-6-4-3-5-16(17)20-18(21)13-24-15-9-7-14(8-10-15)11-12-19/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyRDQYMHMOJKFSMD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide

2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide (PubChem CID 47078845) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
PubChem CID47078845
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C18H18N2O4S/c1-2-25(22,23)17-6-4-3-5-16(17)20-18(21)13-24-15-9-7-14(8-10-15)11-12-19/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyRDQYMHMOJKFSMD-UHFFFAOYSA-N
XLogP2.56
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 48541562
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 55312855
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
2-cyano-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]acetamide
CID 108922952
N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55848331
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
2-[4-(cyanomethyl)phenoxy]-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 55401486
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide (CID 47078845) is 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide?
The InChIKey is RDQYMHMOJKFSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-2-25(22,23)17-6-4-3-5-16(17)20-18(21)13-24-15-9-7-14(8-10-15)11-12-19/h3-10H,2,11,13H2,1H3,(H,20,21).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide?
2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 47078845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).