N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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

C32H34F7N3O4S — CID 123680192

IUPACN-[2-(2-tert-butyl-4-pyridinyl)propan-2-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
SMILESCC(C)(C)c1cc(C(C)(C)NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)ccn1
InChIInChI=1S/C32H34F7N3O4S/c1-28(2,3)26-17-20(14-15-40-26)29(4,5)41-27(43)18-23-10-6-19-16-21(30(44,31(34,35)36)32(37,38)39)7-13-25(19)42(23)47(45,46)24-11-8-22(33)9-12-24/h7-9,11-17,23,44H,6,10,18H2,1-5H3,(H,41,43)
InChIKeyVYSJJVPXTKUTIK-UHFFFAOYSA-N
MW689.69 g/mol
LogP6.78
Rot. Bonds7

About N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 123680192) has the molecular formula C32H34F7N3O4S and a molecular weight of 689.69 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 CID123680192
Molecular FormulaC32H34F7N3O4S
Molecular Weight689.69 g/mol
Exact Mass689.22
IUPAC NameN-[2-(2-tert-butyl-4-pyridinyl)propan-2-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
SMILESCC(C)(C)c1cc(C(C)(C)NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)ccn1
InChIInChI=1S/C32H34F7N3O4S/c1-28(2,3)26-17-20(14-15-40-26)29(4,5)41-27(43)18-23-10-6-19-16-21(30(44,31(34,35)36)32(37,38)39)7-13-25(19)42(23)47(45,46)24-11-8-22(33)9-12-24/h7-9,11-17,23,44H,6,10,18H2,1-5H3,(H,41,43)
InChIKeyVYSJJVPXTKUTIK-UHFFFAOYSA-N
XLogP6.78
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.69
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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

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
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-[(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
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]pyridine-2-carboxylic acid
CID 122662305
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-[(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-[3-(hydroxymethyl)-4-pyridinyl]acetamide
CID 122662377
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
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
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-(oxan-4-yl)propan-2-one
CID 153242825
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 123213278
N-(1,3-benzothiazol-2-ylmethyl)-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 123147976

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 123680192) is N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 CC(C)(C)c1cc(C(C)(C)NC(=O)CC2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 VYSJJVPXTKUTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F7N3O4S/c1-28(2,3)26-17-20(14-15-40-26)29(4,5)41-27(43)18-23-10-6-19-16-21(30(44,31(34,35)36)32(37,38)39)7-13-25(19)42(23)47(45,46)24-11-8-22(33)9-12-24/h7-9,11-17,23,44H,6,10,18H2,1-5H3,(H,41,43).
What are the key properties of N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 689.69 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-pyridinyl)propan-2-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 123680192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).