2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide

C16H18N2OS — CID 2948701

IUPAC2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyRWOGIDWBQDVQMT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide

2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 2948701) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID2948701
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19)
InChIKeyRWOGIDWBQDVQMT-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide (CID 2948701) is 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(SC(C)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is RWOGIDWBQDVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-3-5-15(6-4-12)20-13(2)16(19)18-11-14-7-9-17-10-8-14/h3-10,13H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide?
2-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 286.40 g/mol, XLogP of 3.19, 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-4-ylmethyl)propanamide is sourced from PubChem (CID 2948701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).