2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide

C13H11Cl2N3OS — CID 43299833

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESNc1cnccc1SCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c14-8-1-2-9(15)11(5-8)18-13(19)7-20-12-3-4-17-6-10(12)16/h1-6H,7,16H2,(H,18,19)
InChIKeyBZLFKOTZLPCRKJ-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.70
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 43299833) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID43299833
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
SMILESNc1cnccc1SCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c14-8-1-2-9(15)11(5-8)18-13(19)7-20-12-3-4-17-6-10(12)16/h1-6H,7,16H2,(H,18,19)
InChIKeyBZLFKOTZLPCRKJ-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
N-[2-[(3-amino-4-pyridinyl)sulfanyl]acetyl]-4-chlorobenzamide
CID 43299698
N-(2,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688153
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
N-(2-amino-5-chlorophenyl)-2-(1H-imidazol-2-ylsulfanyl)acetamide
CID 107779699
N-(2,5-dichlorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7723650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide (CID 43299833) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide is Nc1cnccc1SCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is BZLFKOTZLPCRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c14-8-1-2-9(15)11(5-8)18-13(19)7-20-12-3-4-17-6-10(12)16/h1-6H,7,16H2,(H,18,19).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 328.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 43299833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).