N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

C22H34N6O4S — CID 43048633

About N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 43048633) has the molecular formula C22H34N6O4S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
• PubChem CID: 43048633
• Molecular Formula: C22H34N6O4S
• Molecular Weight: 478.62 g/mol
• Exact Mass: 478.24
• IUPAC Name: N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)C)no3)CC2)cc1
• InChI: InChI=1S/C22H34N6O4S/c1-5-28(6-2)33(30,31)19-9-7-18(8-10-19)23-20(29)15-26-11-13-27(14-12-26)16-21-24-22(17(3)4)25-32-21/h7-10,17H,5-6,11-16H2,1-4H3,(H,23,29)
• InChIKey: IZIZTQMHJJEJOC-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 111.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.62
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 43048633) is N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(C(C)C)no3)CC2)cc1.

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

The InChIKey is IZIZTQMHJJEJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O4S/c1-5-28(6-2)33(30,31)19-9-7-18(8-10-19)23-20(29)15-26-11-13-27(14-12-26)16-21-24-22(17(3)4)25-32-21/h7-10,17H,5-6,11-16H2,1-4H3,(H,23,29).

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

N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 478.62 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43048633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).