N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide

C14H14N2OS — CID 2487711

IUPACN-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccncc1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)16-14(17)10-18-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyQIJRGPPWVWPULN-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.12
Rot. Bonds4

About N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide

N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 2487711) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID2487711
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCc1ccccc1NC(=O)CSc1ccncc1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)16-14(17)10-18-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyQIJRGPPWVWPULN-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

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7-Pyridin-3-yl-2H-1,4-benzothiazin-3(4H)-one
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N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(pyridin-2-ylsulfanyl)acetohydrazide
CID 6867577
1-(4-Methylsulfanylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 2826086
2-phenylthio-N-(3-pyridylmethyl)acetamide
CID 800469
ST4014630
CID 684061
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 892299
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2341319
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
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CID 4878299

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide (CID 2487711) is N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide is Cc1ccccc1NC(=O)CSc1ccncc1.
What is the InChIKey of N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is QIJRGPPWVWPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-4-2-3-5-13(11)16-14(17)10-18-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylphenyl)-2-pyridin-4-ylsulfanylacetamide?
N-(2-methylphenyl)-2-pyridin-4-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-4-ylsulfanylacetamide is sourced from PubChem (CID 2487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).