2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide

C12H14N2O3S — CID 55209905

IUPAC2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyUBHVBTMVNRUWNN-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.26
Rot. Bonds5

About 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide

2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 55209905) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID55209905
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C12H14N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyUBHVBTMVNRUWNN-UHFFFAOYSA-N
XLogP0.26
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide (CID 55209905) is 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is UBHVBTMVNRUWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18(16,17)7-6-14-12(15)8-10-2-4-11(9-13)5-3-10/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide?
2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 55209905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).