N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

C20H19N3O4S — CID 46383879

IUPACN-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccccc3OC)ccc2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(25)12-11-19(22-23)28-13-18(24)21-16-5-3-4-6-17(16)27-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOZHLXUAIDQHXRW-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.98
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (PubChem CID 46383879) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
PubChem CID46383879
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccccc3OC)ccc2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(25)12-11-19(22-23)28-13-18(24)21-16-5-3-4-6-17(16)27-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyOZHLXUAIDQHXRW-UHFFFAOYSA-N
XLogP2.98
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46383851
N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383831
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383839
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
N-(2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 43935517
N-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581668
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828341
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 1455235

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (CID 46383879) is N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is COc1ccc(-n2nc(SCC(=O)Nc3ccccc3OC)ccc2=O)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The InChIKey is OZHLXUAIDQHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-15-9-7-14(8-10-15)23-20(25)12-11-19(22-23)28-13-18(24)21-16-5-3-4-6-17(16)27-2/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 46383879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).