N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C27H26ClFN4O5S — CID 3902938

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3902938) has the molecular formula C27H26ClFN4O5S and a molecular weight of 573.05 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 3902938
• Molecular Formula: C27H26ClFN4O5S
• Molecular Weight: 573.05 g/mol
• Exact Mass: 572.13
• IUPAC Name: N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)c1
• InChI: InChI=1S/C27H26ClFN4O5S/c1-3-27(18-10-12-19(29)13-11-18)25(35)32(26(36)31-27)17-24(34)30-23-16-21(14-15-22(23)28)39(37,38)33(4-2)20-8-6-5-7-9-20/h5-16H,3-4,17H2,1-2H3,(H,30,34)(H,31,36)
• InChIKey: GLIXCYVBOQPUGP-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.05
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3902938) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)c1.

What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is GLIXCYVBOQPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O5S/c1-3-27(18-10-12-19(29)13-11-18)25(35)32(26(36)31-27)17-24(34)30-23-16-21(14-15-22(23)28)39(37,38)33(4-2)20-8-6-5-7-9-20/h5-16H,3-4,17H2,1-2H3,(H,30,34)(H,31,36).

What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 573.05 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3902938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).