2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide

C26H21N3O4S — CID 24594965

About 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide

2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24594965) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

• Compound Name: 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide
• PubChem CID: 24594965
• Molecular Formula: C26H21N3O4S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.13
• IUPAC Name: 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide
• SMILES: O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1N=C(c2cccs2)CC1c1ccco1
• InChI: InChI=1S/C26H21N3O4S/c30-25(29-21(23-12-6-14-32-23)16-20(28-29)24-13-7-15-34-24)17-33-22-11-5-4-10-19(22)26(31)27-18-8-2-1-3-9-18/h1-15,21H,16-17H2,(H,27,31)
• InChIKey: CJHBNBZYHQLCTI-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide?

The IUPAC name of 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide (CID 24594965) is 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide.

What is the SMILES notation for 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide?

The canonical SMILES for 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1OCC(=O)N1N=C(c2cccs2)CC1c1ccco1.

What is the InChIKey of 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide?

The InChIKey is CJHBNBZYHQLCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4S/c30-25(29-21(23-12-6-14-32-23)16-20(28-29)24-13-7-15-34-24)17-33-22-11-5-4-10-19(22)26(31)27-18-8-2-1-3-9-18/h1-15,21H,16-17H2,(H,27,31).

What are the key properties of 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide?

2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 471.54 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24594965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).