2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C27H32N2O5S — CID 30401927

About 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30401927) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
• PubChem CID: 30401927
• Molecular Formula: C27H32N2O5S
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.20
• IUPAC Name: 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
• SMILES: CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1
• InChI: InChI=1S/C27H32N2O5S/c1-6-33-23-9-7-22(8-10-23)29-35(31,32)25-13-11-24(12-14-25)34-17-27(30)28-21(5)26-16-19(3)18(2)15-20(26)4/h7-16,21,29H,6,17H2,1-5H3,(H,28,30)/t21-/m1/s1
• InChIKey: IKXQNIRMXHWQTC-OAQYLSRUSA-N
• XLogP: 5.07
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30401927) is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1.

What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The InChIKey is IKXQNIRMXHWQTC-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-6-33-23-9-7-22(8-10-23)29-35(31,32)25-13-11-24(12-14-25)34-17-27(30)28-21(5)26-16-19(3)18(2)15-20(26)4/h7-16,21,29H,6,17H2,1-5H3,(H,28,30)/t21-/m1/s1.

What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 496.63 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30401927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).