2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide

C12H14N2O3S — CID 82181486

IUPAC2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)(=O)CCC#N
InChIInChI=1S/C12H14N2O3S/c1-10-5-2-3-6-11(10)14-12(15)9-18(16,17)8-4-7-13/h2-3,5-6H,4,8-9H2,1H3,(H,14,15)
InChIKeyADGCAGFFAFMZNG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.26
Rot. Bonds5

About 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide

2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide (PubChem CID 82181486) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide
PubChem CID82181486
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)(=O)CCC#N
InChIInChI=1S/C12H14N2O3S/c1-10-5-2-3-6-11(10)14-12(15)9-18(16,17)8-4-7-13/h2-3,5-6H,4,8-9H2,1H3,(H,14,15)
InChIKeyADGCAGFFAFMZNG-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanopropylsulfonyl)-N-(2,3-dimethylphenyl)acetamide
CID 82183117
2-(2-cyanoethylsulfonyl)-N-(2,5-dimethylphenyl)acetamide
CID 82181488
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
2-(3-cyanopropylsulfonyl)-N-(2,4-dimethylphenyl)acetamide
CID 82183116
2-(3-cyanopropylsulfonyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 96694836
2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96694920
2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
CID 81187980
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 86989533
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide (CID 82181486) is 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CS(=O)(=O)CCC#N.
What is the InChIKey of 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide?
The InChIKey is ADGCAGFFAFMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-10-5-2-3-6-11(10)14-12(15)9-18(16,17)8-4-7-13/h2-3,5-6H,4,8-9H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide?
2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoethylsulfonyl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 82181486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).