2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide

C25H25F7N4O5S — CID 130328652

IUPAC2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=NNC(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C25H25F7N4O5S/c1-35(2)22(37)13-21-34-33-20(41-21)12-17-7-3-14-11-15(23(38,24(27,28)29)25(30,31)32)4-10-19(14)36(17)42(39,40)18-8-5-16(26)6-9-18/h4-6,8-11,17,20,33,38H,3,7,12-13H2,1-2H3/t17-,20?/m0/s1
InChIKeyDIMVVXVPHRSJPD-DIMJTDRSSA-N
MW626.55 g/mol
LogP3.78
Rot. Bonds7

About 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide

2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide (PubChem CID 130328652) has the molecular formula C25H25F7N4O5S and a molecular weight of 626.55 g/mol. Its IUPAC name is 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide
PubChem CID130328652
Molecular FormulaC25H25F7N4O5S
Molecular Weight626.55 g/mol
Exact Mass626.14
IUPAC Name2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1=NNC(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)O1
InChIInChI=1S/C25H25F7N4O5S/c1-35(2)22(37)13-21-34-33-20(41-21)12-17-7-3-14-11-15(23(38,24(27,28)29)25(30,31)32)4-10-19(14)36(17)42(39,40)18-8-5-16(26)6-9-18/h4-6,8-11,17,20,33,38H,3,7,12-13H2,1-2H3/t17-,20?/m0/s1
InChIKeyDIMVVXVPHRSJPD-DIMJTDRSSA-N
XLogP3.78
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide (CID 130328652) is 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1=NNC(C[C@@H]2CCc3cc(C(O)(C(F)(F)F)C(F)(F)F)ccc3N2S(=O)(=O)c2ccc(F)cc2)O1.
What is the InChIKey of 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide?
The InChIKey is DIMVVXVPHRSJPD-DIMJTDRSSA-N. The full InChI is InChI=1S/C25H25F7N4O5S/c1-35(2)22(37)13-21-34-33-20(41-21)12-17-7-3-14-11-15(23(38,24(27,28)29)25(30,31)32)4-10-19(14)36(17)42(39,40)18-8-5-16(26)6-9-18/h4-6,8-11,17,20,33,38H,3,7,12-13H2,1-2H3/t17-,20?/m0/s1.
What are the key properties of 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide?
2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide has a molecular weight of 626.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]methyl]-2,3-dihydro-1,3,4-oxadiazol-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 130328652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).