2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide

C17H15N3O2S — CID 2124389

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12(21)19-14-6-8-16(9-7-14)23-11-17(22)20-15-4-2-13(10-18)3-5-15/h2-9H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQFMQKWKGYNDGR-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 2124389) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID2124389
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H15N3O2S/c1-12(21)19-14-6-8-16(9-7-14)23-11-17(22)20-15-4-2-13(10-18)3-5-15/h2-9H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWQFMQKWKGYNDGR-UHFFFAOYSA-N
XLogP3.25
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)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-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide (CID 2124389) is 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is WQFMQKWKGYNDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12(21)19-14-6-8-16(9-7-14)23-11-17(22)20-15-4-2-13(10-18)3-5-15/h2-9H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 2124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).