N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide

C17H16N2O3S — CID 51086068

IUPACN-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-17(2,14-6-4-3-5-7-14)16(20)19-23(21,22)15-10-8-13(12-18)9-11-15/h3-11H,1-2H3,(H,19,20)
InChIKeyRUEAEHMJFOHVAV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.34
Rot. Bonds4

About N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide

N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide (PubChem CID 51086068) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
PubChem CID51086068
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-17(2,14-6-4-3-5-7-14)16(20)19-23(21,22)15-10-8-13(12-18)9-11-15/h3-11H,1-2H3,(H,19,20)
InChIKeyRUEAEHMJFOHVAV-UHFFFAOYSA-N
XLogP2.34
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(4-nitrophenyl)sulfonyl-2-phenylpropanamide
CID 102037094
(Z)-N-(4-cyanophenyl)sulfonyl-3,4,4-trimethylpent-2-enamide
CID 75408061
2-methyl-2-phenyl-N-(trifluoromethylsulfonyl)propanamide
CID 155170790
2-[(4-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468041
methyl 2-[(4-cyanophenyl)sulfonylamino]-2-phenylacetate
CID 3861560
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
2-(4-cyanophenyl)-2-methylpropanoyl chloride
CID 117047662
4-(2-methyl-3-oxobutan-2-yl)benzonitrile
CID 53344188
N-[4-[(4-cyanophenyl)methylideneamino]phenyl]sulfonylacetamide
CID 932395
(2S)-3-(4-cyanophenyl)-2-methyl-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 70246960
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide (CID 51086068) is N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide?
The InChIKey is RUEAEHMJFOHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-17(2,14-6-4-3-5-7-14)16(20)19-23(21,22)15-10-8-13(12-18)9-11-15/h3-11H,1-2H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide?
N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)sulfonyl-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 51086068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).