7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide

C24H22Cl2F3NO2S — CID 126484624

About 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide

7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 126484624) has the molecular formula C24H22Cl2F3NO2S and a molecular weight of 516.41 g/mol. Its IUPAC name is 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

• Compound Name: 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide
• PubChem CID: 126484624
• Molecular Formula: C24H22Cl2F3NO2S
• Molecular Weight: 516.41 g/mol
• Exact Mass: 515.07
• IUPAC Name: 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide
• SMILES: CSCCNC(=O)c1ccc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
• InChI: InChI=1S/C24H22Cl2F3NO2S/c1-33-8-7-30-22(31)21-6-5-18(19-3-2-4-20(19)21)14-12-23(32-13-14,24(27,28)29)15-9-16(25)11-17(26)10-15/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,30,31)
• InChIKey: GROIITUBYRNXJF-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.41
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide?

The IUPAC name of 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide (CID 126484624) is 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide.

What is the SMILES notation for 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide?

The canonical SMILES for 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide is CSCCNC(=O)c1ccc(C2=COC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2c1CCC2.

What is the InChIKey of 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide?

The InChIKey is GROIITUBYRNXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3NO2S/c1-33-8-7-30-22(31)21-6-5-18(19-3-2-4-20(19)21)14-12-23(32-13-14,24(27,28)29)15-9-16(25)11-17(26)10-15/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,30,31).

What are the key properties of 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide?

7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 516.41 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 126484624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).