[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate

C26H33NO7S — CID 25046647

About [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 25046647) has the molecular formula C26H33NO7S and a molecular weight of 503.62 g/mol. Its IUPAC name is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

• Compound Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
• PubChem CID: 25046647
• Molecular Formula: C26H33NO7S
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.20
• IUPAC Name: [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1
• InChI: InChI=1S/C26H33NO7S/c1-17(2)23-14-5-18(3)15-24(23)34-25(28)16-33-26(29)19-6-12-22(13-7-19)35(30,31)27-20-8-10-21(32-4)11-9-20/h6-13,17-18,23-24,27H,5,14-16H2,1-4H3
• InChIKey: SNHVINOWQDWGLM-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 108.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?

The IUPAC name of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate (CID 25046647) is [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate.

What is the SMILES notation for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?

The canonical SMILES for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)OC3CC(C)CCC3C(C)C)cc2)cc1.

What is the InChIKey of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?

The InChIKey is SNHVINOWQDWGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO7S/c1-17(2)23-14-5-18(3)15-24(23)34-25(28)16-33-26(29)19-6-12-22(13-7-19)35(30,31)27-20-8-10-21(32-4)11-9-20/h6-13,17-18,23-24,27H,5,14-16H2,1-4H3.

What are the key properties of [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate?

[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 503.62 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25046647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).