N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

C23H21F2NO5S — CID 17013262

About N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (PubChem CID 17013262) has the molecular formula C23H21F2NO5S and a molecular weight of 461.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
• PubChem CID: 17013262
• Molecular Formula: C23H21F2NO5S
• Molecular Weight: 461.49 g/mol
• Exact Mass: 461.11
• IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide
• SMILES: O=C(COc1ccc(F)cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C23H21F2NO5S/c24-17-3-1-16(2-4-17)22-10-9-21(31-22)13-26(19-11-12-32(28,29)15-19)23(27)14-30-20-7-5-18(25)6-8-20/h1-10,19H,11-15H2
• InChIKey: QONOPPJKSZYNAS-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.49
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?

The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide (CID 17013262) is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide.

What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?

The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is O=C(COc1ccc(F)cc1)N(Cc1ccc(-c2ccc(F)cc2)o1)C1CCS(=O)(=O)C1.

What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?

The InChIKey is QONOPPJKSZYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO5S/c24-17-3-1-16(2-4-17)22-10-9-21(31-22)13-26(19-11-12-32(28,29)15-19)23(27)14-30-20-7-5-18(25)6-8-20/h1-10,19H,11-15H2.

What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide?

N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide has a molecular weight of 461.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]acetamide is sourced from PubChem (CID 17013262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).