2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C20H17ClN2OS — CID 46521113

IUPAC2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24)
InChIKeyYULBGGLGZBGDGL-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.21
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 46521113) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID46521113
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24)
InChIKeyYULBGGLGZBGDGL-UHFFFAOYSA-N
XLogP5.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]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)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 46521113) is 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is YULBGGLGZBGDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-17-5-3-15(4-6-17)12-20(24)23-18-7-9-19(10-8-18)25-14-16-2-1-11-22-13-16/h1-11,13H,12,14H2,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 368.89 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 46521113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).