N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide

C27H28F6N2O6S — CID 123322044

About N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide

N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide (PubChem CID 123322044) has the molecular formula C27H28F6N2O6S and a molecular weight of 622.58 g/mol. Its IUPAC name is N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide
• PubChem CID: 123322044
• Molecular Formula: C27H28F6N2O6S
• Molecular Weight: 622.58 g/mol
• Exact Mass: 622.16
• IUPAC Name: N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC2COC(=O)C2(C)C)cc1
• InChI: InChI=1S/C27H28F6N2O6S/c1-15-4-9-19(10-5-15)42(39,40)35-18(13-22(36)34-21-14-41-23(37)24(21,2)3)8-6-16-12-17(7-11-20(16)35)25(38,26(28,29)30)27(31,32)33/h4-5,7,9-12,18,21,38H,6,8,13-14H2,1-3H3,(H,34,36)
• InChIKey: PEZUFUNNWQJOLD-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 113.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	622.58
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The IUPAC name of N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide (CID 123322044) is N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide.

What is the SMILES notation for N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The canonical SMILES for N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide is Cc1ccc(S(=O)(=O)N2c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3CCC2CC(=O)NC2COC(=O)C2(C)C)cc1.

What is the InChIKey of N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

The InChIKey is PEZUFUNNWQJOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F6N2O6S/c1-15-4-9-19(10-5-15)42(39,40)35-18(13-22(36)34-21-14-41-23(37)24(21,2)3)8-6-16-12-17(7-11-20(16)35)25(38,26(28,29)30)27(31,32)33/h4-5,7,9-12,18,21,38H,6,8,13-14H2,1-3H3,(H,34,36).

What are the key properties of N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide?

N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide has a molecular weight of 622.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-dimethyl-5-oxooxolan-3-yl)-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]acetamide is sourced from PubChem (CID 123322044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).