N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

C17H19N3O2S — CID 3275584

IUPACN-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCCc2ccccn2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13(21)19-15-5-7-16(8-6-15)20-17(22)12-23-11-9-14-4-2-3-10-18-14/h2-8,10H,9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGAIBSXGMHIRKJE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.95
Rot. Bonds7

About N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide

N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (PubChem CID 3275584) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
PubChem CID3275584
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCCc2ccccn2)cc1
InChIInChI=1S/C17H19N3O2S/c1-13(21)19-15-5-7-16(8-6-15)20-17(22)12-23-11-9-14-4-2-3-10-18-14/h2-8,10H,9,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyGAIBSXGMHIRKJE-UHFFFAOYSA-N
XLogP2.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)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 N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide (CID 3275584) is N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is CC(=O)Nc1ccc(NC(=O)CSCCc2ccccn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
The InChIKey is GAIBSXGMHIRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13(21)19-15-5-7-16(8-6-15)20-17(22)12-23-11-9-14-4-2-3-10-18-14/h2-8,10H,9,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide?
N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide is sourced from PubChem (CID 3275584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).