N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C21H21N3O2S — CID 40693481

IUPACN-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-4-9-18(15(2)12-14)22-20(25)13-27-21-11-10-19(23-24-21)16-5-7-17(26-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyJERDYGUEQGAACR-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.50
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 40693481) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID40693481
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14-4-9-18(15(2)12-14)22-20(25)13-27-21-11-10-19(23-24-21)16-5-7-17(26-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyJERDYGUEQGAACR-UHFFFAOYSA-N
XLogP4.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
N-(2-bromo-4-sulfamoylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 172991960
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207456
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43817501
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 3227985
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 40693481) is N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JERDYGUEQGAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-4-9-18(15(2)12-14)22-20(25)13-27-21-11-10-19(23-24-21)16-5-7-17(26-3)8-6-16/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 379.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 40693481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).