2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide

C15H15ClN2OS — CID 801371

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C15H15ClN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyLFLOIJZOCLJOSS-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.28
Rot. Bonds6

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 801371) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID801371
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCc1ccccn1
InChIInChI=1S/C15H15ClN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyLFLOIJZOCLJOSS-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide 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-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 801371) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CSCc1ccc(Cl)cc1)NCc1ccccn1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LFLOIJZOCLJOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-6-4-12(5-7-13)10-20-11-15(19)18-9-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 306.82 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 801371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).