N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

C18H15ClN4OS — CID 7207502

IUPACN-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4OS/c19-14-6-4-13(5-7-14)11-21-17(24)12-25-18-9-8-16(22-23-18)15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)
InChIKeyPYTROOGCLRFAKH-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.60
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (PubChem CID 7207502) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
PubChem CID7207502
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4OS/c19-14-6-4-13(5-7-14)11-21-17(24)12-25-18-9-8-16(22-23-18)15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24)
InChIKeyPYTROOGCLRFAKH-UHFFFAOYSA-N
XLogP3.60
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide 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

1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
1-(4-Chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 7207487
3-((2-Chloro-6-fluorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7207491
3-(4-Chloro-phenyl)-6-(pyridin-2-ylmethylsulfanyl)-pyridazine
CID 3227974
3-((3-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 20900509
3-[(2,6-Dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 53484011
5-[(7-Chloroquinolin-3-yl)sulfanylmethyl]-1,4-dihydropyrazine-2,3-dione
CID 166952036
2-[(4-chlorobenzyl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 801371
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
CID 7207329
N-(3-chloro-2-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207497

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide (CID 7207502) is N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccn2)nn1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is PYTROOGCLRFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c19-14-6-4-13(5-7-14)11-21-17(24)12-25-18-9-8-16(22-23-18)15-3-1-2-10-20-15/h1-10H,11-12H2,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 370.87 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 7207502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).