2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C22H19N5O5S2 — CID 121051792

IUPAC2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1
InChIInChI=1S/C22H19N5O5S2/c1-32-17-4-2-3-15(13-17)19-9-10-21(29)27(25-19)14-20(28)24-16-5-7-18(8-6-16)34(30,31)26-22-23-11-12-33-22/h2-13H,14H2,1H3,(H,23,26)(H,24,28)
InChIKeyLKGXMMFQLYXZDL-UHFFFAOYSA-N
MW497.56 g/mol
LogP2.81
Rot. Bonds8

About 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 121051792) has the molecular formula C22H19N5O5S2 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID121051792
Molecular FormulaC22H19N5O5S2
Molecular Weight497.56 g/mol
Exact Mass497.08
IUPAC Name2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1
InChIInChI=1S/C22H19N5O5S2/c1-32-17-4-2-3-15(13-17)19-9-10-21(29)27(25-19)14-20(28)24-16-5-7-18(8-6-16)34(30,31)26-22-23-11-12-33-22/h2-13H,14H2,1H3,(H,23,26)(H,24,28)
InChIKeyLKGXMMFQLYXZDL-UHFFFAOYSA-N
XLogP2.81
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052518
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 121052762
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-(3-methoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 43910258
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051824
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 51044931
2-(3-methyl-5-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 19530453
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 121051792) is 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is LKGXMMFQLYXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S2/c1-32-17-4-2-3-15(13-17)19-9-10-21(29)27(25-19)14-20(28)24-16-5-7-18(8-6-16)34(30,31)26-22-23-11-12-33-22/h2-13H,14H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 497.56 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 121051792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).