2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide

C20H17FN2OS — CID 573323

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVINMREJGXWPTLF-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.44
Rot. Bonds6

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 573323) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID573323
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccccc1SCc1ccc(F)cc1
InChIInChI=1S/C20H17FN2OS/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVINMREJGXWPTLF-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)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-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide (CID 573323) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccccc1SCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VINMREJGXWPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-17-9-7-15(8-10-17)14-25-19-6-2-1-5-18(19)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 573323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).