2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide

C15H16N2OS — CID 816108

IUPAC2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2OS/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyGZRTZYPDZPNGBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide

2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 816108) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID816108
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H16N2OS/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyGZRTZYPDZPNGBY-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide (CID 816108) is 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide is Cc1ccc(SCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GZRTZYPDZPNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-4-6-14(7-5-12)19-11-15(18)17-10-13-3-2-8-16-9-13/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 272.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 816108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).