2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide

C14H14N2OS — CID 4215609

IUPAC2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
SMILESCc1ccccc1SCC(=O)Nc1ccncc1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)18-10-14(17)16-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyANFLYYSKZSOOIS-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide

2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide (PubChem CID 4215609) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
PubChem CID4215609
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
SMILESCc1ccccc1SCC(=O)Nc1ccncc1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)18-10-14(17)16-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,15,16,17)
InChIKeyANFLYYSKZSOOIS-UHFFFAOYSA-N
XLogP3.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202
2-methyl-2-[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696215
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 51151024
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide (CID 4215609) is 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide is Cc1ccccc1SCC(=O)Nc1ccncc1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide?
The InChIKey is ANFLYYSKZSOOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)18-10-14(17)16-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide?
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide has a molecular weight of 258.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 4215609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).