N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

C23H22N6O5S — CID 121076138

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)cc2)nc(C)n1
InChIInChI=1S/C23H22N6O5S/c1-14-13-21(25-16(3)24-14)28-35(32,33)18-8-6-17(7-9-18)26-23(31)15(2)29-22(30)11-10-19(27-29)20-5-4-12-34-20/h4-13,15H,1-3H3,(H,26,31)(H,24,25,28)
InChIKeyBZYNDZYWSWTNNU-UHFFFAOYSA-N
MW494.53 g/mol
LogP2.91
Rot. Bonds7

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 121076138) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID121076138
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)cc2)nc(C)n1
InChIInChI=1S/C23H22N6O5S/c1-14-13-21(25-16(3)24-14)28-35(32,33)18-8-6-17(7-9-18)26-23(31)15(2)29-22(30)11-10-19(27-29)20-5-4-12-34-20/h4-13,15H,1-3H3,(H,26,31)(H,24,25,28)
InChIKeyBZYNDZYWSWTNNU-UHFFFAOYSA-N
XLogP2.91
TPSA149.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075957
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 121076227
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methoxyphenoxy)propanamide
CID 19203957
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
(2S)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 40942018
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 121075959
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 121076138) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)n3nc(-c4ccco4)ccc3=O)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is BZYNDZYWSWTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-14-13-21(25-16(3)24-14)28-35(32,33)18-8-6-17(7-9-18)26-23(31)15(2)29-22(30)11-10-19(27-29)20-5-4-12-34-20/h4-13,15H,1-3H3,(H,26,31)(H,24,25,28).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 494.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 121076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).