N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide

C12H14N2O3S — CID 63172628

IUPACN-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O3S/c1-9(2)18(16,17)8-12(15)14-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyKMRGOMTYFPIKJA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.32
Rot. Bonds4

About N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide

N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide (PubChem CID 63172628) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
PubChem CID63172628
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O3S/c1-9(2)18(16,17)8-12(15)14-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyKMRGOMTYFPIKJA-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-4-propan-2-ylsulfonylbutanamide
CID 64692660
N-(2-cyanophenyl)-2-[ethyl(propan-2-yl)amino]acetamide
CID 43265776
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980
N-(2-cyanophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244452
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7937569
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
N-(2-cyanophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925263

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide (CID 63172628) is N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide?
The InChIKey is KMRGOMTYFPIKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(2)18(16,17)8-12(15)14-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide?
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 63172628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).