2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide

C26H26F6N2O6S — CID 123466318

About 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide

2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide (PubChem CID 123466318) has the molecular formula C26H26F6N2O6S and a molecular weight of 608.56 g/mol. Its IUPAC name is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide
• PubChem CID: 123466318
• Molecular Formula: C26H26F6N2O6S
• Molecular Weight: 608.56 g/mol
• Exact Mass: 608.14
• IUPAC Name: 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC2COCCC2=O)cc1
• InChI: InChI=1S/C26H26F6N2O6S/c1-15-2-7-19(8-3-15)41(38,39)34-18(13-23(36)33-20-14-40-11-10-22(20)35)6-4-16-12-17(5-9-21(16)34)24(37,25(27,28)29)26(30,31)32/h2-3,5,7-9,12,18,20,37H,4,6,10-11,13-14H2,1H3,(H,33,36)
• InChIKey: TZRXAQWNORYHRM-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 113.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.56
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide?

The IUPAC name of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide (CID 123466318) is 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide.

What is the SMILES notation for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide?

The canonical SMILES for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide is Cc1ccc(S(=O)(=O)N2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC2COCCC2=O)cc1.

What is the InChIKey of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide?

The InChIKey is TZRXAQWNORYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F6N2O6S/c1-15-2-7-19(8-3-15)41(38,39)34-18(13-23(36)33-20-14-40-11-10-22(20)35)6-4-16-12-17(5-9-21(16)34)24(37,25(27,28)29)26(30,31)32/h2-3,5,7-9,12,18,20,37H,4,6,10-11,13-14H2,1H3,(H,33,36).

What are the key properties of 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide?

2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide has a molecular weight of 608.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-(4-oxooxan-3-yl)acetamide is sourced from PubChem (CID 123466318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).