N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide

C15H16N2OS — CID 670646

IUPACN-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C15H16N2OS/c1-11-7-12(2)9-13(8-11)17-14(18)10-19-15-5-3-4-6-16-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyFLVJMPGCAOLVGL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.43
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 670646) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID670646
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1cc(C)cc(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C15H16N2OS/c1-11-7-12(2)9-13(8-11)17-14(18)10-19-15-5-3-4-6-16-15/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyFLVJMPGCAOLVGL-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide 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

5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7579785
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 670646) is N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide is Cc1cc(C)cc(NC(=O)CSc2ccccn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is FLVJMPGCAOLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-7-12(2)9-13(8-11)17-14(18)10-19-15-5-3-4-6-16-15/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 272.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 670646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).