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

C15H16N2OS — CID 851339

IUPACN-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccn2)c1
InChIInChI=1S/C15H16N2OS/c1-12-5-4-6-13(11-12)17-14(18)8-10-19-15-7-2-3-9-16-15/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyINVWWGKNWLEPBA-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds5

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

N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 851339) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID851339
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccn2)c1
InChIInChI=1S/C15H16N2OS/c1-12-5-4-6-13(11-12)17-14(18)8-10-19-15-7-2-3-9-16-15/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyINVWWGKNWLEPBA-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-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 851339) is N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide is Cc1cccc(NC(=O)CCSc2ccccn2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is INVWWGKNWLEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-5-4-6-13(11-12)17-14(18)8-10-19-15-7-2-3-9-16-15/h2-7,9,11H,8,10H2,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(3-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-(3-methylphenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 851339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).