2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide

C21H22N4O8S — CID 41014886

About 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide

2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide (PubChem CID 41014886) has the molecular formula C21H22N4O8S and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide
• PubChem CID: 41014886
• Molecular Formula: C21H22N4O8S
• Molecular Weight: 490.49 g/mol
• Exact Mass: 490.12
• IUPAC Name: 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1S(N)(=O)=O
• InChI: InChI=1S/C21H22N4O8S/c1-21(12-3-5-14-16(9-12)33-8-7-32-14)19(27)25(20(28)24-21)11-18(26)23-13-4-6-15(31-2)17(10-13)34(22,29)30/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)(H,24,28)(H2,22,29,30)/t21-/m1/s1
• InChIKey: UEAUQLDIYZMSDU-OAQYLSRUSA-N
• XLogP: 0.52
• TPSA: 166.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.49
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide (CID 41014886) is 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide.

What is the SMILES notation for 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide?

The canonical SMILES for 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1S(N)(=O)=O.

What is the InChIKey of 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide?

The InChIKey is UEAUQLDIYZMSDU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N4O8S/c1-21(12-3-5-14-16(9-12)33-8-7-32-14)19(27)25(20(28)24-21)11-18(26)23-13-4-6-15(31-2)17(10-13)34(22,29)30/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,26)(H,24,28)(H2,22,29,30)/t21-/m1/s1.

What are the key properties of 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide?

2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide has a molecular weight of 490.49 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 41014886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).