2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide

C12H14N2O3S — CID 115172909

IUPAC2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H14N2O3S/c1-9(2)18(16,17)11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyJQHMNDQGOOHTNX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.72
Rot. Bonds4

About 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide

2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 115172909) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID115172909
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C12H14N2O3S/c1-9(2)18(16,17)11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyJQHMNDQGOOHTNX-UHFFFAOYSA-N
XLogP1.72
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
4-oxo-4-(4-propan-2-ylsulfonylphenyl)butanenitrile
CID 116862111
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide (CID 115172909) is 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is JQHMNDQGOOHTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(2)18(16,17)11-5-3-10(4-6-11)14-12(15)7-8-13/h3-6,9H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide?
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 115172909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).