1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide

C27H26N4O5S — CID 16547973

IUPAC1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C27H26N4O5S/c1-3-31(21-12-8-5-9-13-21)37(34,35)22-14-16-25(36-2)24(18-22)28-27(33)23-15-17-26(32)30(29-23)19-20-10-6-4-7-11-20/h4-18H,3,19H2,1-2H3,(H,28,33)
InChIKeyKDTGSENZBJJMDU-UHFFFAOYSA-N
MW518.60 g/mol
LogP3.77
Rot. Bonds9

About 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 16547973) has the molecular formula C27H26N4O5S and a molecular weight of 518.60 g/mol. Its IUPAC name is 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
PubChem CID16547973
Molecular FormulaC27H26N4O5S
Molecular Weight518.60 g/mol
Exact Mass518.16
IUPAC Name1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C27H26N4O5S/c1-3-31(21-12-8-5-9-13-21)37(34,35)22-14-16-25(36-2)24(18-22)28-27(33)23-15-17-26(32)30(29-23)19-20-10-6-4-7-11-20/h4-18H,3,19H2,1-2H3,(H,28,33)
InChIKeyKDTGSENZBJJMDU-UHFFFAOYSA-N
XLogP3.77
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
6-chloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 16605008
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
4-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 2084993
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 4833486
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5033170
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide (CID 16547973) is 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is KDTGSENZBJJMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5S/c1-3-31(21-12-8-5-9-13-21)37(34,35)22-14-16-25(36-2)24(18-22)28-27(33)23-15-17-26(32)30(29-23)19-20-10-6-4-7-11-20/h4-18H,3,19H2,1-2H3,(H,28,33).
What are the key properties of 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 518.60 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 16547973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).