N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

C17H16N2OS — CID 2708526

IUPACN-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C#N)cc1C
InChIInChI=1S/C17H16N2OS/c1-12-7-8-15(9-13(12)2)21-11-17(20)19-16-6-4-3-5-14(16)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyGMLSGFMRBAVBSJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.91
Rot. Bonds4

About N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide

N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2708526) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
PubChem CID2708526
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C#N)cc1C
InChIInChI=1S/C17H16N2OS/c1-12-7-8-15(9-13(12)2)21-11-17(20)19-16-6-4-3-5-14(16)10-18/h3-9H,11H2,1-2H3,(H,19,20)
InChIKeyGMLSGFMRBAVBSJ-UHFFFAOYSA-N
XLogP3.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyanomethylsulfanyl)phenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8633936
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
2-(N-acetyl-3,4-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113168421
2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 8633965
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
[3-methyl-4-[(2-naphthalen-2-ylsulfanylacetyl)amino]phenyl] thiocyanate
CID 7793156
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-2-[(6-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 2990604
N-(2-cyanophenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7937569
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide (CID 2708526) is N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2C#N)cc1C.
What is the InChIKey of N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is GMLSGFMRBAVBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-7-8-15(9-13(12)2)21-11-17(20)19-16-6-4-3-5-14(16)10-18/h3-9H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide?
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 296.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2708526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).