[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate

C24H26N4O6S — CID 4238793

IUPAC[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)OC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N4O6S/c1-16-10-11-19(35(32,33)27(3)4)14-21(16)25-23(30)17(2)34-24(31)20-12-13-22(29)28(26-20)15-18-8-6-5-7-9-18/h5-14,17H,15H2,1-4H3,(H,25,30)
InChIKeyXYADHLZCUFYWAX-UHFFFAOYSA-N
MW498.56 g/mol
LogP2.03
Rot. Bonds8

About [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate

[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate (PubChem CID 4238793) has the molecular formula C24H26N4O6S and a molecular weight of 498.56 g/mol. Its IUPAC name is [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
PubChem CID4238793
Molecular FormulaC24H26N4O6S
Molecular Weight498.56 g/mol
Exact Mass498.16
IUPAC Name[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)OC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H26N4O6S/c1-16-10-11-19(35(32,33)27(3)4)14-21(16)25-23(30)17(2)34-24(31)20-12-13-22(29)28(26-20)15-18-8-6-5-7-9-18/h5-14,17H,15H2,1-4H3,(H,25,30)
InChIKeyXYADHLZCUFYWAX-UHFFFAOYSA-N
XLogP2.03
TPSA127.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate with MolForge

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Related Compounds

[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 5114611
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 16523214
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 42972197
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2103722
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283472
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523838
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-chloro-4,5-difluorobenzoate
CID 16528277
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 35192804
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 42920800

Frequently Asked Questions

What is the IUPAC name of [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate (CID 4238793) is [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)OC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
The InChIKey is XYADHLZCUFYWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S/c1-16-10-11-19(35(32,33)27(3)4)14-21(16)25-23(30)17(2)34-24(31)20-12-13-22(29)28(26-20)15-18-8-6-5-7-9-18/h5-14,17H,15H2,1-4H3,(H,25,30).
What are the key properties of [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate?
[1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate has a molecular weight of 498.56 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 4238793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).