2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C22H20N6O5S — CID 121076381

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C22H20N6O5S/c1-22(2,28-19(29)11-10-17(26-28)18-5-3-14-33-18)20(30)25-15-6-8-16(9-7-15)34(31,32)27-21-23-12-4-13-24-21/h3-14H,1-2H3,(H,25,30)(H,23,24,27)
InChIKeyNHQXAILFQPYIBP-UHFFFAOYSA-N
MW480.51 g/mol
LogP2.47
Rot. Bonds7

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 121076381) has the molecular formula C22H20N6O5S and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID121076381
Molecular FormulaC22H20N6O5S
Molecular Weight480.51 g/mol
Exact Mass480.12
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C22H20N6O5S/c1-22(2,28-19(29)11-10-17(26-28)18-5-3-14-33-18)20(30)25-15-6-8-16(9-7-15)34(31,32)27-21-23-12-4-13-24-21/h3-14H,1-2H3,(H,25,30)(H,23,24,27)
InChIKeyNHQXAILFQPYIBP-UHFFFAOYSA-N
XLogP2.47
TPSA149.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076428
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121076436
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076332
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076138
2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 121076871
1-propan-2-yl-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 2100953

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 121076381) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is NHQXAILFQPYIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O5S/c1-22(2,28-19(29)11-10-17(26-28)18-5-3-14-33-18)20(30)25-15-6-8-16(9-7-15)34(31,32)27-21-23-12-4-13-24-21/h3-14H,1-2H3,(H,25,30)(H,23,24,27).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 480.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 121076381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).