2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

C27H28N4O6S — CID 100800834

About 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100800834) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 100800834
• Molecular Formula: C27H28N4O6S
• Molecular Weight: 536.61 g/mol
• Exact Mass: 536.17
• IUPAC Name: 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1
• InChI: InChI=1S/C27H28N4O6S/c1-18(2)27-29-25(30-37-27)16-19-4-6-20(7-5-19)28-26(32)17-36-23-12-14-24(15-13-23)38(33,34)31-21-8-10-22(35-3)11-9-21/h4-15,18,31H,16-17H2,1-3H3,(H,28,32)
• InChIKey: YEGYEIWNPGSDRP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 132.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.61
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100800834) is 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1.

What is the InChIKey of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The InChIKey is YEGYEIWNPGSDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c1-18(2)27-29-25(30-37-27)16-19-4-6-20(7-5-19)28-26(32)17-36-23-12-14-24(15-13-23)38(33,34)31-21-8-10-22(35-3)11-9-21/h4-15,18,31H,16-17H2,1-3H3,(H,28,32).

What are the key properties of 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 536.61 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).