[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

C24H20N4O6S — CID 40901212

About [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate

[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (PubChem CID 40901212) has the molecular formula C24H20N4O6S and a molecular weight of 492.51 g/mol. Its IUPAC name is [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

Molecular Properties

• Compound Name: [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
• PubChem CID: 40901212
• Molecular Formula: C24H20N4O6S
• Molecular Weight: 492.51 g/mol
• Exact Mass: 492.11
• IUPAC Name: [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
• SMILES: O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccccc1CN1C(=O)CNC1=O
• InChI: InChI=1S/C24H20N4O6S/c29-21-12-25-24(32)27(21)13-15-5-1-2-6-16(15)23(31)34-14-22(30)28-18(19-7-3-9-33-19)11-17(26-28)20-8-4-10-35-20/h1-10,18H,11-14H2,(H,25,32)/t18-/m1/s1
• InChIKey: JZHUECYNTXXQNO-GOSISDBHSA-N
• XLogP: 2.93
• TPSA: 121.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.51
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
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-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?

The IUPAC name of [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate (CID 40901212) is [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate.

What is the SMILES notation for [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?

The canonical SMILES for [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccccc1CN1C(=O)CNC1=O.

What is the InChIKey of [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?

The InChIKey is JZHUECYNTXXQNO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20N4O6S/c29-21-12-25-24(32)27(21)13-15-5-1-2-6-16(15)23(31)34-14-22(30)28-18(19-7-3-9-33-19)11-17(26-28)20-8-4-10-35-20/h1-10,18H,11-14H2,(H,25,32)/t18-/m1/s1.

What are the key properties of [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate?

[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate has a molecular weight of 492.51 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 40901212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).