N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide

C32H28F7N3O5S — CID 123337093

IUPACN-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
SMILESCC1(C)CC(NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C32H28F7N3O5S/c1-29(2)16-25(24-13-18(17-40)3-12-27(24)47-29)41-28(43)15-22-8-4-19-14-20(30(44,31(34,35)36)32(37,38)39)5-11-26(19)42(22)48(45,46)23-9-6-21(33)7-10-23/h3,5-7,9-14,22,25,44H,4,8,15-16H2,1-2H3,(H,41,43)
InChIKeyQYHVPVWPVMQHHG-UHFFFAOYSA-N
MW699.65 g/mol
LogP6.33
Rot. Bonds6

About N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide

N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide (PubChem CID 123337093) has the molecular formula C32H28F7N3O5S and a molecular weight of 699.65 g/mol. Its IUPAC name is N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
PubChem CID123337093
Molecular FormulaC32H28F7N3O5S
Molecular Weight699.65 g/mol
Exact Mass699.16
IUPAC NameN-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
SMILESCC1(C)CC(NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)c2cc(C#N)ccc2O1
InChIInChI=1S/C32H28F7N3O5S/c1-29(2)16-25(24-13-18(17-40)3-12-27(24)47-29)41-28(43)15-22-8-4-19-14-20(30(44,31(34,35)36)32(37,38)39)5-11-26(19)42(22)48(45,46)23-9-6-21(33)7-10-23/h3,5-7,9-14,22,25,44H,4,8,15-16H2,1-2H3,(H,41,43)
InChIKeyQYHVPVWPVMQHHG-UHFFFAOYSA-N
XLogP6.33
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.65
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide with MolForge

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Related Compounds

2-[(2S)-1-(4-cyanophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-(oxan-4-yl)acetamide
CID 122662285
N-[(3S,4R)-3,4-dihydroxycyclopentyl]-2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
CID 122662366
N-(2,2-difluoro-3-hydroxy-3-methylbutyl)-2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
CID 122662346
N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
CID 122652506
2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N-methylideneacetamide
CID 144805050
N-cyclopentyl-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 123426835
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
5-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-N,N-dimethyl-4-oxopentanamide
CID 162248661
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
acetylene;cyclopentane;2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide
CID 144805009
1-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]-3-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 159427631
ethyl (2S,3R)-3-[[2-[(2S)-1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 122662338

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The IUPAC name of N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide (CID 123337093) is N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide.
What is the SMILES notation for N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The canonical SMILES for N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide is CC1(C)CC(NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)c2cc(C#N)ccc2O1.
What is the InChIKey of N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
The InChIKey is QYHVPVWPVMQHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F7N3O5S/c1-29(2)16-25(24-13-18(17-40)3-12-27(24)47-29)41-28(43)15-22-8-4-19-14-20(30(44,31(34,35)36)32(37,38)39)5-11-26(19)42(22)48(45,46)23-9-6-21(33)7-10-23/h3,5-7,9-14,22,25,44H,4,8,15-16H2,1-2H3,(H,41,43).
What are the key properties of N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide?
N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide has a molecular weight of 699.65 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[1-(4-fluorophenyl)sulfonyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-quinolin-2-yl]acetamide is sourced from PubChem (CID 123337093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).