N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide

C14H14N2OS — CID 7027156

IUPACN-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H14N2OS/c1-11-6-2-3-7-12(11)16-13(17)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMTFPHQMNWXSPNY-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds4

About N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide

N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 7027156) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID7027156
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccccn1
InChIInChI=1S/C14H14N2OS/c1-11-6-2-3-7-12(11)16-13(17)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17)
InChIKeyMTFPHQMNWXSPNY-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-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124594955
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
N-[2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]-2-pyridin-2-ylsulfanylacetamide
CID 2801354
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide (CID 7027156) is N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide is Cc1ccccc1NC(=O)CSc1ccccn1.
What is the InChIKey of N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MTFPHQMNWXSPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-6-2-3-7-12(11)16-13(17)10-18-14-8-4-5-9-15-14/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide 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 N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 7027156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).