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

C22H25F2N5O3S — CID 159479290

IUPACN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C22H25F2N5O3S/c1-3-29(33(30,31)18-8-9-18)13-16(15-6-4-14(2)5-7-15)10-19-25-11-17(12-26-19)21-27-28-22(32-21)20(23)24/h4-7,11-12,16,18,20H,3,8-10,13H2,1-2H3
InChIKeyATCAVCLBWIOVJI-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.91
Rot. Bonds10

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

N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide (PubChem CID 159479290) has the molecular formula C22H25F2N5O3S and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
PubChem CID159479290
Molecular FormulaC22H25F2N5O3S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1)S(=O)(=O)C1CC1
InChIInChI=1S/C22H25F2N5O3S/c1-3-29(33(30,31)18-8-9-18)13-16(15-6-4-14(2)5-7-15)10-19-25-11-17(12-26-19)21-27-28-22(32-21)20(23)24/h4-7,11-12,16,18,20H,3,8-10,13H2,1-2H3
InChIKeyATCAVCLBWIOVJI-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 ≤ 500477.54
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-(2-fluoro-4-methylphenyl)propyl]-N-ethylethanesulfonamide
CID 159215415
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
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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3-methylphenyl)-1-(oxan-4-yl)piperidine-4-sulfonamide
CID 126506439
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
CID 158190301
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 175811436
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-[4-(trifluoromethoxy)phenyl]ethyl]-N-methylmethanesulfonamide
CID 135320866
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylcyclohexanesulfonamide
CID 161462313

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide?
The IUPAC name of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide (CID 159479290) is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide.
What is the SMILES notation for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide?
The canonical SMILES for N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide is CCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1)S(=O)(=O)C1CC1.
What is the InChIKey of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide?
The InChIKey is ATCAVCLBWIOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O3S/c1-3-29(33(30,31)18-8-9-18)13-16(15-6-4-14(2)5-7-15)10-19-25-11-17(12-26-19)21-27-28-22(32-21)20(23)24/h4-7,11-12,16,18,20H,3,8-10,13H2,1-2H3.
What are the key properties of N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide?
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide has a molecular weight of 477.54 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-(4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide is sourced from PubChem (CID 159479290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).