N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide

C21H24F3N5O3S — CID 159215415

IUPACN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)CC
InChIInChI=1S/C21H24F3N5O3S/c1-4-29(33(30,31)5-2)12-14(16-7-6-13(3)8-17(16)22)9-18-25-10-15(11-26-18)20-27-28-21(32-20)19(23)24/h6-8,10-11,14,19H,4-5,9,12H2,1-3H3
InChIKeyQIUOUPJZVQVOIR-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.91
Rot. Bonds10

About N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide

N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide (PubChem CID 159215415) has the molecular formula C21H24F3N5O3S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide
PubChem CID159215415
Molecular FormulaC21H24F3N5O3S
Molecular Weight483.52 g/mol
Exact Mass483.16
IUPAC NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)CC
InChIInChI=1S/C21H24F3N5O3S/c1-4-29(33(30,31)5-2)12-14(16-7-6-13(3)8-17(16)22)9-18-25-10-15(11-26-18)20-27-28-21(32-20)19(23)24/h6-8,10-11,14,19H,4-5,9,12H2,1-3H3
InChIKeyQIUOUPJZVQVOIR-UHFFFAOYSA-N
XLogP3.91
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
CID 159424680
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
CID 159479290
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
CID 159924071
N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(4-methylphenyl)ethyl]ethanesulfonamide;N-[2-[(5-cyanopyrimidin-2-yl)amino]-2-(4-methylphenyl)ethyl]-N-ethylethanesulfonamide;N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylethanesulfonamide;N-ethyl-N-[2-(4-methylphenyl)-3-[5-(4H-triazol-5-yl)pyrimidin-2-yl]propyl]ethanesulfonamide;ethyl trifluoromethanesulfonate
CID 159267045
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-methylcyclopropanesulfonamide
CID 135320998
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]propane-1-sulfonamide
CID 150770697
N-[(2S)-2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]methanesulfonamide
CID 146676723
N-[2-[4-(difluoromethoxy)-2-fluorophenyl]-2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]ethyl]-N-(2,2,2-trifluoroethyl)ethanesulfinamide
CID 142425743
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-oxazol-2-yl]amino]ethyl]-N-(3-methylphenyl)ethanesulfonamide
CID 166091676
2-(difluoromethyl)-5-[2-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 158256383
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 126507616

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide?
The IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide (CID 159215415) is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide is CCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)CC.
What is the InChIKey of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide?
The InChIKey is QIUOUPJZVQVOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3S/c1-4-29(33(30,31)5-2)12-14(16-7-6-13(3)8-17(16)22)9-18-25-10-15(11-26-18)20-27-28-21(32-20)19(23)24/h6-8,10-11,14,19H,4-5,9,12H2,1-3H3.
What are the key properties of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide?
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide has a molecular weight of 483.52 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 159215415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).