2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide

C11H12N2O3S — CID 168523802

IUPAC2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H12N2O3S/c1-8-3-4-9(13-11(14)5-6-12)10(7-8)17(2,15)16/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyRNPZLEOIFLTBRG-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.25
Rot. Bonds3

About 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide

2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide (PubChem CID 168523802) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
PubChem CID168523802
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H12N2O3S/c1-8-3-4-9(13-11(14)5-6-12)10(7-8)17(2,15)16/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyRNPZLEOIFLTBRG-UHFFFAOYSA-N
XLogP1.25
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
2-cyano-N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]acetamide
CID 168521733
3-[(2-cyanoacetyl)amino]-2-hydroxy-5-methylbenzenesulfonic acid
CID 168523008
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
N-[2-[(2-cyanoacetyl)amino]-4-methylphenyl]benzamide
CID 168521332
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-cyano-N-[2-(difluoromethylsulfonyl)-4-fluorophenyl]acetamide
CID 168523787
2-cyano-N-(4-ethyl-2-hydroxyphenyl)acetamide
CID 168520330
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide (CID 168523802) is 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)CC#N)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide?
The InChIKey is RNPZLEOIFLTBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-3-4-9(13-11(14)5-6-12)10(7-8)17(2,15)16/h3-4,7H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide?
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 168523802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).