N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H22N4O4S — CID 55892739

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H22N4O4S/c1-11(17-16(22)14-9-10-15(21)20(4)18-14)12-5-7-13(8-6-12)25(23,24)19(2)3/h5-8,11H,9-10H2,1-4H3,(H,17,22)
InChIKeyWUCJBRGOAHCVLJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.72
Rot. Bonds5

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55892739) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55892739
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C16H22N4O4S/c1-11(17-16(22)14-9-10-15(21)20(4)18-14)12-5-7-13(8-6-12)25(23,24)19(2)3/h5-8,11H,9-10H2,1-4H3,(H,17,22)
InChIKeyWUCJBRGOAHCVLJ-UHFFFAOYSA-N
XLogP0.72
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55892739) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CC(NC(=O)C1=NN(C)C(=O)CC1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is WUCJBRGOAHCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-11(17-16(22)14-9-10-15(21)20(4)18-14)12-5-7-13(8-6-12)25(23,24)19(2)3/h5-8,11H,9-10H2,1-4H3,(H,17,22).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55892739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).