N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide

C21H19Cl2N3OS — CID 43936797

IUPACN-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1C
InChIInChI=1S/C21H19Cl2N3OS/c1-12-8-14(3)16(9-13(12)2)19-6-7-21(26-25-19)28-11-20(27)24-15-4-5-17(22)18(23)10-15/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyJIHZILMXYSVEMY-UHFFFAOYSA-N
MW432.38 g/mol
LogP6.11
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43936797) has the molecular formula C21H19Cl2N3OS and a molecular weight of 432.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43936797
Molecular FormulaC21H19Cl2N3OS
Molecular Weight432.38 g/mol
Exact Mass431.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1cc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1C
InChIInChI=1S/C21H19Cl2N3OS/c1-12-8-14(3)16(9-13(12)2)19-6-7-21(26-25-19)28-11-20(27)24-15-4-5-17(22)18(23)10-15/h4-10H,11H2,1-3H3,(H,24,27)
InChIKeyJIHZILMXYSVEMY-UHFFFAOYSA-N
XLogP6.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.38
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7673100
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936785
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
N-(3,4-dichlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]acetamide
CID 17059932
N-(3-chloro-4-methylphenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562785
N-(3-fluoro-4-methylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541133
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
N-[[(2R)-oxolan-2-yl]methyl]-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7673113

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43936797) is N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide is Cc1cc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1C.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JIHZILMXYSVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3OS/c1-12-8-14(3)16(9-13(12)2)19-6-7-21(26-25-19)28-11-20(27)24-15-4-5-17(22)18(23)10-15/h4-10H,11H2,1-3H3,(H,24,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 432.38 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43936797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).