N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide

C26H26FN3O4S2 — CID 23772872

About N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 23772872) has the molecular formula C26H26FN3O4S2 and a molecular weight of 527.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
• PubChem CID: 23772872
• Molecular Formula: C26H26FN3O4S2
• Molecular Weight: 527.64 g/mol
• Exact Mass: 527.13
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
• SMILES: O=C1CC(N(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C26H26FN3O4S2/c27-20-8-10-21(11-9-20)29-24(31)17-23(26(29)32)30(36(33,34)25-7-4-16-35-25)22-12-14-28(15-13-22)18-19-5-2-1-3-6-19/h1-11,16,22-23H,12-15,17-18H2
• InChIKey: AAVUQAAHOQESKZ-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 78.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.64
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 23772872) is N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is O=C1CC(N(C2CCN(Cc3ccccc3)CC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(F)cc1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?

The InChIKey is AAVUQAAHOQESKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4S2/c27-20-8-10-21(11-9-20)29-24(31)17-23(26(29)32)30(36(33,34)25-7-4-16-35-25)22-12-14-28(15-13-22)18-19-5-2-1-3-6-19/h1-11,16,22-23H,12-15,17-18H2.

What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide?

N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 527.64 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 23772872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).