4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide

C15H16N2O2S — CID 2874292

IUPAC4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-13-7-5-12(6-8-13)15(18)17-10-11-20-14-4-2-3-9-16-14/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyAOZADGCVPIOPEO-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.61
Rot. Bonds6

About 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide

4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide (PubChem CID 2874292) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide
PubChem CID2874292
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCSc2ccccn2)cc1
InChIInChI=1S/C15H16N2O2S/c1-19-13-7-5-12(6-8-13)15(18)17-10-11-20-14-4-2-3-9-16-14/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyAOZADGCVPIOPEO-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)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 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide (CID 2874292) is 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide is COc1ccc(C(=O)NCCSc2ccccn2)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
The InChIKey is AOZADGCVPIOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-13-7-5-12(6-8-13)15(18)17-10-11-20-14-4-2-3-9-16-14/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide?
4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide has a molecular weight of 288.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-2-ylsulfanylethyl)benzamide is sourced from PubChem (CID 2874292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).