N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide

C22H26N4O5S — CID 53056068

About N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide

N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 53056068) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
• PubChem CID: 53056068
• Molecular Formula: C22H26N4O5S
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.16
• IUPAC Name: N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(COc2ccccc2C)n1
• InChI: InChI=1S/C22H26N4O5S/c1-15-9-10-18(23-17(3)27)20(13-15)32(28,29)26(4)12-11-21-24-22(31-25-21)14-30-19-8-6-5-7-16(19)2/h5-10,13H,11-12,14H2,1-4H3,(H,23,27)
• InChIKey: SIEQFQJFPMZUBA-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 114.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide (CID 53056068) is N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide.

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

The canonical SMILES for N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N(C)CCc1noc(COc2ccccc2C)n1.

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

The InChIKey is SIEQFQJFPMZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-15-9-10-18(23-17(3)27)20(13-15)32(28,29)26(4)12-11-21-24-22(31-25-21)14-30-19-8-6-5-7-16(19)2/h5-10,13H,11-12,14H2,1-4H3,(H,23,27).

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

N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 458.54 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53056068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).