[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

C24H29N3O7S — CID 6215811

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (PubChem CID 6215811) has the molecular formula C24H29N3O7S and a molecular weight of 503.58 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

Molecular Properties

• Compound Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
• PubChem CID: 6215811
• Molecular Formula: C24H29N3O7S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.17
• IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
• SMILES: CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
• InChI: InChI=1S/C24H29N3O7S/c1-3-27(4-2)35(31,32)20-10-7-19(8-11-20)9-12-23(29)34-18-22(28)25-13-15-26(16-14-25)24(30)21-6-5-17-33-21/h5-12,17H,3-4,13-16,18H2,1-2H3/b12-9+
• InChIKey: RTAOKZRPPKHAFZ-FMIVXFBMSA-N
• XLogP: 1.85
• TPSA: 117.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?

The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate (CID 6215811) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate.

What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?

The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.

What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?

The InChIKey is RTAOKZRPPKHAFZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H29N3O7S/c1-3-27(4-2)35(31,32)20-10-7-19(8-11-20)9-12-23(29)34-18-22(28)25-13-15-26(16-14-25)24(30)21-6-5-17-33-21/h5-12,17H,3-4,13-16,18H2,1-2H3/b12-9+.

What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate?

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate has a molecular weight of 503.58 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 6215811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).