2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

C23H26F2N4O6S — CID 45355769

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 45355769) has the molecular formula C23H26F2N4O6S and a molecular weight of 524.55 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
• PubChem CID: 45355769
• Molecular Formula: C23H26F2N4O6S
• Molecular Weight: 524.55 g/mol
• Exact Mass: 524.15
• IUPAC Name: 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1
• InChI: InChI=1S/C23H26F2N4O6S/c1-14(2)28(4)36(33,34)18-11-7-16(8-12-18)26-19(30)13-29-20(31)23(3,27-22(29)32)15-5-9-17(10-6-15)35-21(24)25/h5-12,14,21H,13H2,1-4H3,(H,26,30)(H,27,32)
• InChIKey: PNHLTNWROWCLJW-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.55
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (CID 45355769) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

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

The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(OC(F)F)cc3)C2=O)cc1.

What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?

The InChIKey is PNHLTNWROWCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O6S/c1-14(2)28(4)36(33,34)18-11-7-16(8-12-18)26-19(30)13-29-20(31)23(3,27-22(29)32)15-5-9-17(10-6-15)35-21(24)25/h5-12,14,21H,13H2,1-4H3,(H,26,30)(H,27,32).

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

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 524.55 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 45355769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).