N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C20H27N5O5S — CID 4324298

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NN(C(=O)C=C3)C
InChIInChI=1S/C20H27N5O5S/c1-4-25(5-2)31(28,29)15-6-8-18(24-10-12-30-13-11-24)17(14-15)21-20(27)16-7-9-19(26)23(3)22-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,27)
InChIKeyXRHNKXIOHOKKES-UHFFFAOYSA-N
MW449.50 g/mol
LogP0.40
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 4324298) has the molecular formula C20H27N5O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID4324298
Molecular FormulaC20H27N5O5S
Molecular Weight449.50 g/mol
Exact Mass449.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NN(C(=O)C=C3)C
InChIInChI=1S/C20H27N5O5S/c1-4-25(5-2)31(28,29)15-6-8-18(24-10-12-30-13-11-24)17(14-15)21-20(27)16-7-9-19(26)23(3)22-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,27)
InChIKeyXRHNKXIOHOKKES-UHFFFAOYSA-N
XLogP0.40
TPSA120.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity827

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-Morpholin-4-yl-6-oxopyridazin-1-yl)benzenesulfonamide
CID 155564942
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
3-acetamido-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 3649053
2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)acetamide
CID 4098743
N-[4-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]sulfamoyl]phenyl]acetamide
CID 4258041
N-[4-[(2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 4786369
N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-methylsulfanylpropanamide
CID 4840256
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide
CID 8932874
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]butanamide
CID 16294389
N-[2-(dimethylamino)-5-(piperidin-1-ylsulfonyl)phenyl]-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 16457900
N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 4324298) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)C3=NN(C(=O)C=C3)C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is XRHNKXIOHOKKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-4-25(5-2)31(28,29)15-6-8-18(24-10-12-30-13-11-24)17(14-15)21-20(27)16-7-9-19(26)23(3)22-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 4324298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).