N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H24N4O6S — CID 55956780

IUPACN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H24N4O6S/c1-3-33(29,30)25-18-10-9-16(15-20(18)31-2)23-22(28)19-11-12-21(27)26(24-19)13-14-32-17-7-5-4-6-8-17/h4-12,15,25H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyHWCDKPAOCRNAAE-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.34
Rot. Bonds10

About N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55956780) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55956780
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OC
InChIInChI=1S/C22H24N4O6S/c1-3-33(29,30)25-18-10-9-16(15-20(18)31-2)23-22(28)19-11-12-21(27)26(24-19)13-14-32-17-7-5-4-6-8-17/h4-12,15,25H,3,13-14H2,1-2H3,(H,23,28)
InChIKeyHWCDKPAOCRNAAE-UHFFFAOYSA-N
XLogP2.34
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43069812
N-(3-acetamido-4-fluorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55532981
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-(3-nitrophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26719395
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55956780) is N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)cc1OC.
What is the InChIKey of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is HWCDKPAOCRNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-3-33(29,30)25-18-10-9-16(15-20(18)31-2)23-22(28)19-11-12-21(27)26(24-19)13-14-32-17-7-5-4-6-8-17/h4-12,15,25H,3,13-14H2,1-2H3,(H,23,28).
What are the key properties of N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55956780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).