3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide

C17H16N2O3S — CID 166437607

IUPAC3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CC(C#N)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-19(14-8-4-2-5-9-14)17(20)12-16(13-18)23(21,22)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyNPOARYAAKAWGCL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.41
Rot. Bonds5

About 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide

3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide (PubChem CID 166437607) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide
PubChem CID166437607
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CC(C#N)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-19(14-8-4-2-5-9-14)17(20)12-16(13-18)23(21,22)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyNPOARYAAKAWGCL-UHFFFAOYSA-N
XLogP2.41
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-(2-Cyanoethylsulfonyl)acetanilide
CID 3239094
1-(4-Phenylpiperazin-1-yl)-3-phenylsulfanylpropan-1-one
CID 977226
N-[4-[4-(propanoylamino)phenyl]sulfonylphenyl]propanamide
CID 1300615
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
3-(Benzenesulfonyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 6460643
3-(Benzenesulfonyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 6461689
1-(4-Phenylpiperazin-1-yl)-2-(phenylsulfonyl)ethanone
CID 7177745
2-(4-Fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 7177747
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide
CID 1319196
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
3-(Benzenesulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 6458180
3-(4-Fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide (CID 166437607) is 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide is CN(C(=O)CC(C#N)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide?
The InChIKey is NPOARYAAKAWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-19(14-8-4-2-5-9-14)17(20)12-16(13-18)23(21,22)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide?
3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3-cyano-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 166437607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).