N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H20N4O6S — CID 3435675

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H20N4O6S/c1-25-14-4-2-11(27(23,24)20-6-8-26-9-7-20)10-13(14)17-16(22)12-3-5-15(21)19-18-12/h2,4,10H,3,5-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyZZGUFJBQPMTVCA-UHFFFAOYSA-N
MW396.43 g/mol
LogP-0.08
Rot. Bonds5

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 3435675) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID3435675
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C16H20N4O6S/c1-25-14-4-2-11(27(23,24)20-6-8-26-9-7-20)10-13(14)17-16(22)12-3-5-15(21)19-18-12/h2,4,10H,3,5-9H2,1H3,(H,17,22)(H,19,21)
InChIKeyZZGUFJBQPMTVCA-UHFFFAOYSA-N
XLogP-0.08
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 5213176
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28631793
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 3435675) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is ZZGUFJBQPMTVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-25-14-4-2-11(27(23,24)20-6-8-26-9-7-20)10-13(14)17-16(22)12-3-5-15(21)19-18-12/h2,4,10H,3,5-9H2,1H3,(H,17,22)(H,19,21).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 3435675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).