N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide

C16H18N2OS — CID 23833046

IUPACN-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccn2)c(C)c1
InChIInChI=1S/C16H18N2OS/c1-12-6-7-14(13(2)11-12)18-15(19)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyJXBUDQGENPFLER-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.82
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide

N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 23833046) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID23833046
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccn2)c(C)c1
InChIInChI=1S/C16H18N2OS/c1-12-6-7-14(13(2)11-12)18-15(19)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19)
InChIKeyJXBUDQGENPFLER-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide 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-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23945130
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
N-(2,4-dimethylphenyl)-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679261
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 23833046) is N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide is Cc1ccc(NC(=O)CCSc2ccccn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is JXBUDQGENPFLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-6-7-14(13(2)11-12)18-15(19)8-10-20-16-5-3-4-9-17-16/h3-7,9,11H,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 23833046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).