2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

C14H14N2OS — CID 1243089

IUPAC2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2OS/c1-18-13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHJMWTVLICVUWSX-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.73
Rot. Bonds4

About 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide

2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1243089) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1243089
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCSc1ccccc1C(=O)NCc1cccnc1
InChIInChI=1S/C14H14N2OS/c1-18-13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyHJMWTVLICVUWSX-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide 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-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide (CID 1243089) is 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is CSc1ccccc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is HJMWTVLICVUWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-13-7-3-2-6-12(13)14(17)16-10-11-5-4-8-15-9-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide?
2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 258.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1243089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).