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

C27H27ClN4O5S — CID 100800518

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

2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100800518) has the molecular formula C27H27ClN4O5S and a molecular weight of 555.06 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 100800518
• Molecular Formula: C27H27ClN4O5S
• Molecular Weight: 555.06 g/mol
• Exact Mass: 554.14
• IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1Cl
• InChI: InChI=1S/C27H27ClN4O5S/c1-17(2)27-30-25(31-37-27)14-19-5-8-20(9-6-19)29-26(33)16-36-22-10-12-23(13-11-22)38(34,35)32-21-7-4-18(3)24(28)15-21/h4-13,15,17,32H,14,16H2,1-3H3,(H,29,33)
• InChIKey: UNMMMKLVEALZEF-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 123.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.06
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100800518) is 2-[4-[(3-chloro-4-methylphenyl)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-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)cc1Cl.

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

The InChIKey is UNMMMKLVEALZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O5S/c1-17(2)27-30-25(31-37-27)14-19-5-8-20(9-6-19)29-26(33)16-36-22-10-12-23(13-11-22)38(34,35)32-21-7-4-18(3)24(28)15-21/h4-13,15,17,32H,14,16H2,1-3H3,(H,29,33).

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

2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 555.06 g/mol, XLogP of 5.56, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100800518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).