2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide

C14H14N2O2S — CID 787499

IUPAC2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C14H14N2O2S/c1-18-12-9-10(19-2)6-7-11(12)14(17)16-13-5-3-4-8-15-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyPHSNPJRFFICRGE-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.06
Rot. Bonds4

About 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide

2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide (PubChem CID 787499) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
PubChem CID787499
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccccn1
InChIInChI=1S/C14H14N2O2S/c1-18-12-9-10(19-2)6-7-11(12)14(17)16-13-5-3-4-8-15-13/h3-9H,1-2H3,(H,15,16,17)
InChIKeyPHSNPJRFFICRGE-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide 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-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide (CID 787499) is 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide is COc1cc(SC)ccc1C(=O)Nc1ccccn1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
The InChIKey is PHSNPJRFFICRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-9-10(19-2)6-7-11(12)14(17)16-13-5-3-4-8-15-13/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide?
2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide has a molecular weight of 274.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 787499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).