2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide

C15H16N2OS — CID 2978000

IUPAC2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18)
InChIKeyYNHJLACDTQIFOT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide

2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide (PubChem CID 2978000) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
PubChem CID2978000
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18)
InChIKeyYNHJLACDTQIFOT-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2943102
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(E)-4-oxo-4-[4-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22785024
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide (CID 2978000) is 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide?
The InChIKey is YNHJLACDTQIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-3-5-14(6-4-11)19-12(2)15(18)17-13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide?
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide has a molecular weight of 272.37 g/mol, XLogP of 3.51, 4 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-4-ylpropanamide is sourced from PubChem (CID 2978000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).