N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C21H22N4O4S — CID 3224442

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C21H22N4O4S/c1-15-6-4-5-7-18(15)19-12-13-21(27)25(23-19)14-20(26)22-16-8-10-17(11-9-16)30(28,29)24(2)3/h4-13H,14H2,1-3H3,(H,22,26)
InChIKeyRJAMMWJSPFDRDQ-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.11
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224442) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224442
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1
InChIInChI=1S/C21H22N4O4S/c1-15-6-4-5-7-18(15)19-12-13-21(27)25(23-19)14-20(26)22-16-8-10-17(11-9-16)30(28,29)24(2)3/h4-13H,14H2,1-3H3,(H,22,26)
InChIKeyRJAMMWJSPFDRDQ-UHFFFAOYSA-N
XLogP2.11
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
3-methyl-4-oxo-N-(4-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 2083384
3-methyl-4-oxo-N-(3-piperidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 3273595
3-methyl-4-oxo-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazine-1-carboxamide
CID 4810706
2-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-{4-[(propan-2-yl)sulfamoyl]phenyl}acetamide
CID 4849074
(2-ethyl-3-oxo-5,6-diphenyl(2-hydropyridazin-4-yl))-N-(4-sulfamoylphenyl)carbo xamide
CID 16014587
N-{2-[2-(1-methylpiperidin-4-ylidene)hydrazinyl]-2-oxoethyl}-N-[4-(propan-2-yl)phenyl]benzenesulfonamide (non-preferred name)
CID 16194184
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 16299684
3-[2-[3-(Azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 16305814
6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one
CID 54612980
4-[3-(4-Iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127027656
4-[6-Oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 127027735

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224442) is N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is RJAMMWJSPFDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-6-4-5-7-18(15)19-12-13-21(27)25(23-19)14-20(26)22-16-8-10-17(11-9-16)30(28,29)24(2)3/h4-13H,14H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).