N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide

C15H20N2O2S — CID 64692485

IUPACN-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccccc1CS(=O)CCC(=O)N(C)CCC#N
InChIInChI=1S/C15H20N2O2S/c1-13-6-3-4-7-14(13)12-20(19)11-8-15(18)17(2)10-5-9-16/h3-4,6-7H,5,8,10-12H2,1-2H3
InChIKeyNJWPAOCBAYBKIE-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.01
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide

N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide (PubChem CID 64692485) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide
PubChem CID64692485
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide
SMILESCc1ccccc1CS(=O)CCC(=O)N(C)CCC#N
InChIInChI=1S/C15H20N2O2S/c1-13-6-3-4-7-14(13)12-20(19)11-8-15(18)17(2)10-5-9-16/h3-4,6-7H,5,8,10-12H2,1-2H3
InChIKeyNJWPAOCBAYBKIE-UHFFFAOYSA-N
XLogP2.01
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N-(cyanomethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62367425
N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide
CID 64691685
N-(2-hydroxyethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 62366240
N-(2-cyanoethyl)-N-methyl-3-(4-propan-2-ylphenyl)sulfinylpropanamide
CID 64692307
4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 94689747
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
N-(2-cyanoethyl)-3-(N-ethylanilino)-N-methylpropanamide
CID 43288757
N-(2-cyanoethyl)-3-(2,5-dichlorophenyl)sulfinyl-N-methylpropanamide
CID 64691689
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
1-[2-[[2-cyanoethyl(methyl)sulfamoyl]amino]ethyl]-2-methylbenzene
CID 35309891

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide (CID 64692485) is N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide is Cc1ccccc1CS(=O)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide?
The InChIKey is NJWPAOCBAYBKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-13-6-3-4-7-14(13)12-20(19)11-8-15(18)17(2)10-5-9-16/h3-4,6-7H,5,8,10-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide is sourced from PubChem (CID 64692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).