[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate

C23H30N4O6S — CID 55536343

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate (PubChem CID 55536343) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
• PubChem CID: 55536343
• Molecular Formula: C23H30N4O6S
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.19
• IUPAC Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate
• SMILES: Cc1nn(C)c(=O)c(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c1C
• InChI: InChI=1S/C23H30N4O6S/c1-15-16(2)25-26(3)22(29)21(15)23(30)33-14-20(28)24-18-12-8-9-13-19(18)34(31,32)27(4)17-10-6-5-7-11-17/h8-9,12-13,17H,5-7,10-11,14H2,1-4H3,(H,24,28)
• InChIKey: DJPDQVJZKAQRIZ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 127.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?

The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate (CID 55536343) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate.

What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?

The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate is Cc1nn(C)c(=O)c(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c1C.

What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?

The InChIKey is DJPDQVJZKAQRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-15-16(2)25-26(3)22(29)21(15)23(30)33-14-20(28)24-18-12-8-9-13-19(18)34(31,32)27(4)17-10-6-5-7-11-17/h8-9,12-13,17H,5-7,10-11,14H2,1-4H3,(H,24,28).

What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate?

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,5,6-trimethyl-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 55536343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).