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

C19H18N4O5S — CID 121050334

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H18N4O5S/c1-28-15-6-2-13(3-7-15)17-10-11-19(25)23(22-17)12-18(24)21-14-4-8-16(9-5-14)29(20,26)27/h2-11H,12H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyGKYFOVZFWGZESI-UHFFFAOYSA-N
MW414.44 g/mol
LogP1.21
Rot. Bonds6

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

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 121050334) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID121050334
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C19H18N4O5S/c1-28-15-6-2-13(3-7-15)17-10-11-19(25)23(22-17)12-18(24)21-14-4-8-16(9-5-14)29(20,26)27/h2-11H,12H2,1H3,(H,21,24)(H2,20,26,27)
InChIKeyGKYFOVZFWGZESI-UHFFFAOYSA-N
XLogP1.21
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885174
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53073409

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 121050334) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is GKYFOVZFWGZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-28-15-6-2-13(3-7-15)17-10-11-19(25)23(22-17)12-18(24)21-14-4-8-16(9-5-14)29(20,26)27/h2-11H,12H2,1H3,(H,21,24)(H2,20,26,27).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 414.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 121050334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).