2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide

C26H32N4O4S — CID 50745217

IUPAC2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1)n1nc(-c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)ccc1=O
InChIInChI=1S/C26H32N4O4S/c1-6-23(26(32)27-21-11-9-10-18(4)16-21)30-25(31)15-14-22(28-30)20-13-12-19(5)24(17-20)35(33,34)29(7-2)8-3/h9-17,23H,6-8H2,1-5H3,(H,27,32)
InChIKeyHFLOMPVRBOZNBP-UHFFFAOYSA-N
MW496.63 g/mol
LogP4.15
Rot. Bonds9

About 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide

2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide (PubChem CID 50745217) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
PubChem CID50745217
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1)n1nc(-c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)ccc1=O
InChIInChI=1S/C26H32N4O4S/c1-6-23(26(32)27-21-11-9-10-18(4)16-21)30-25(31)15-14-22(28-30)20-13-12-19(5)24(17-20)35(33,34)29(7-2)8-3/h9-17,23H,6-8H2,1-5H3,(H,27,32)
InChIKeyHFLOMPVRBOZNBP-UHFFFAOYSA-N
XLogP4.15
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)butanamide
CID 25249810
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
methyl (2S)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7666078
2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
CID 50745234
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
CID 46301191
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide (CID 50745217) is 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide is CCC(C(=O)Nc1cccc(C)c1)n1nc(-c2ccc(C)c(S(=O)(=O)N(CC)CC)c2)ccc1=O.
What is the InChIKey of 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
The InChIKey is HFLOMPVRBOZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-6-23(26(32)27-21-11-9-10-18(4)16-21)30-25(31)15-14-22(28-30)20-13-12-19(5)24(17-20)35(33,34)29(7-2)8-3/h9-17,23H,6-8H2,1-5H3,(H,27,32).
What are the key properties of 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide?
2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide has a molecular weight of 496.63 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 50745217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).