N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide

C15H16N2OS — CID 23804504

IUPACN-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccc2)n1
InChIInChI=1S/C15H16N2OS/c1-12-6-5-9-14(16-12)17-15(18)10-11-19-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyKZEWKXSYRJXISP-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide

N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide (PubChem CID 23804504) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
PubChem CID23804504
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
SMILESCc1cccc(NC(=O)CCSc2ccccc2)n1
InChIInChI=1S/C15H16N2OS/c1-12-6-5-9-14(16-12)17-15(18)10-11-19-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyKZEWKXSYRJXISP-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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Related Compounds

N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
CID 86860055
3-[[N'-methyl-N-(2-phenylsulfanylethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111372980
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23889380
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(3-methyl-1,2-oxazol-5-yl)-3-phenylsulfanylpropanamide
CID 45284604
N-(5-ethyl-1H-pyrazol-3-yl)-3-phenylsulfanylpropanamide
CID 104619671
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23804159
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23861563
N-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23861664

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide (CID 23804504) is N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide is Cc1cccc(NC(=O)CCSc2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
The InChIKey is KZEWKXSYRJXISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-12-6-5-9-14(16-12)17-15(18)10-11-19-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide?
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide 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-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 23804504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).