N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide

C15H16N2OS — CID 851336

IUPACN-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccn2)cc1
InChIInChI=1S/C15H16N2OS/c1-12-5-7-13(8-6-12)17-14(18)9-11-19-15-4-2-3-10-16-15/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyZSZSWJQKRIUTBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds5

About N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide

N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 851336) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID851336
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1ccc(NC(=O)CCSc2ccccn2)cc1
InChIInChI=1S/C15H16N2OS/c1-12-5-7-13(8-6-12)17-14(18)9-11-19-15-4-2-3-10-16-15/h2-8,10H,9,11H2,1H3,(H,17,18)
InChIKeyZSZSWJQKRIUTBY-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 851336) is N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide is Cc1ccc(NC(=O)CCSc2ccccn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is ZSZSWJQKRIUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-5-7-13(8-6-12)17-14(18)9-11-19-15-4-2-3-10-16-15/h2-8,10H,9,11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 851336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).