5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C18H19N3O7S — CID 47037515

About 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 47037515) has the molecular formula C18H19N3O7S and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

• Compound Name: 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
• PubChem CID: 47037515
• Molecular Formula: C18H19N3O7S
• Molecular Weight: 421.43 g/mol
• Exact Mass: 421.09
• IUPAC Name: 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
• SMILES: CN(C)S(=O)(=O)c1ccc(CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)o1
• InChI: InChI=1S/C18H19N3O7S/c1-18(11-4-6-13-14(8-11)27-10-26-13)16(22)21(17(23)19-18)9-12-5-7-15(28-12)29(24,25)20(2)3/h4-8H,9-10H2,1-3H3,(H,19,23)
• InChIKey: LYENENNYEITDKF-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 118.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.43
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?

The IUPAC name of 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 47037515) is 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

What is the SMILES notation for 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?

The canonical SMILES for 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2C(=O)NC(C)(c3ccc4c(c3)OCO4)C2=O)o1.

What is the InChIKey of 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?

The InChIKey is LYENENNYEITDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O7S/c1-18(11-4-6-13-14(8-11)27-10-26-13)16(22)21(17(23)19-18)9-12-5-7-15(28-12)29(24,25)20(2)3/h4-8H,9-10H2,1-3H3,(H,19,23).

What are the key properties of 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?

5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 421.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 47037515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).