5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C22H18Cl2FNO4S — CID 35346467

About 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 35346467) has the molecular formula C22H18Cl2FNO4S and a molecular weight of 482.36 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• PubChem CID: 35346467
• Molecular Formula: C22H18Cl2FNO4S
• Molecular Weight: 482.36 g/mol
• Exact Mass: 481.03
• IUPAC Name: 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• SMILES: O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1
• InChI: InChI=1S/C22H18Cl2FNO4S/c23-15-3-6-19(24)18(11-15)20-7-8-21(30-20)22(27)26(17-9-10-31(28,29)13-17)12-14-1-4-16(25)5-2-14/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1
• InChIKey: MCUJLZSSLFMRAO-QGZVFWFLSA-N
• XLogP: 5.22
• TPSA: 67.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.36
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 35346467) is 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

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

The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1.

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

The InChIKey is MCUJLZSSLFMRAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H18Cl2FNO4S/c23-15-3-6-19(24)18(11-15)20-7-8-21(30-20)22(27)26(17-9-10-31(28,29)13-17)12-14-1-4-16(25)5-2-14/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1.

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

5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 482.36 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 35346467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).