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

C22H24F3N5O3S — CID 159424680

IUPACN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)C1CC1
InChIInChI=1S/C22H24F3N5O3S/c1-3-30(34(31,32)16-5-6-16)12-14(17-7-4-13(2)8-18(17)23)9-19-26-10-15(11-27-19)21-28-29-22(33-21)20(24)25/h4,7-8,10-11,14,16,20H,3,5-6,9,12H2,1-2H3
InChIKeyRTVTUTXOTVBIQC-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.05
Rot. Bonds10

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

N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide (PubChem CID 159424680) has the molecular formula C22H24F3N5O3S and a molecular weight of 495.53 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-ethylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
PubChem CID159424680
Molecular FormulaC22H24F3N5O3S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC NameN-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
SMILESCCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)C1CC1
InChIInChI=1S/C22H24F3N5O3S/c1-3-30(34(31,32)16-5-6-16)12-14(17-7-4-13(2)8-18(17)23)9-19-26-10-15(11-27-19)21-28-29-22(33-21)20(24)25/h4,7-8,10-11,14,16,20H,3,5-6,9,12H2,1-2H3
InChIKeyRTVTUTXOTVBIQC-UHFFFAOYSA-N
XLogP4.05
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide
CID 159479290
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-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(4-fluorophenyl)propyl]-N-methylacetamide
CID 159924071
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
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 175811436
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-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
CID 155729429
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]cyclohexanesulfonamide
CID 158190301
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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113

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-ethylcyclopropanesulfonamide?
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-ethylcyclopropanesulfonamide (CID 159424680) is N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-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-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide?
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-ethylcyclopropanesulfonamide is CCN(CC(Cc1ncc(-c2nnc(C(F)F)o2)cn1)c1ccc(C)cc1F)S(=O)(=O)C1CC1.
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-ethylcyclopropanesulfonamide?
The InChIKey is RTVTUTXOTVBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3S/c1-3-30(34(31,32)16-5-6-16)12-14(17-7-4-13(2)8-18(17)23)9-19-26-10-15(11-27-19)21-28-29-22(33-21)20(24)25/h4,7-8,10-11,14,16,20H,3,5-6,9,12H2,1-2H3.
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-ethylcyclopropanesulfonamide?
N-[3-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]-2-(2-fluoro-4-methylphenyl)propyl]-N-ethylcyclopropanesulfonamide has a molecular weight of 495.53 g/mol, XLogP of 4.05, 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-ethylcyclopropanesulfonamide is sourced from PubChem (CID 159424680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).