N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane

C20H23F2N5O2S — CID 145238560

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane
SMILESCC.CS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2c(c1)CNC2
InChIInChI=1S/C18H17F2N5O2S.C2H6/c1-28(26)25(15-5-3-11-7-21-8-13(11)6-15)10-14-4-2-12(9-22-14)17-23-24-18(27-17)16(19)20;1-2/h2-6,9,16,21H,7-8,10H2,1H3;1-2H3
InChIKeyQNDKQCUKCDHENX-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.00
Rot. Bonds6

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane (PubChem CID 145238560) has the molecular formula C20H23F2N5O2S and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane
PubChem CID145238560
Molecular FormulaC20H23F2N5O2S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane
SMILESCC.CS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2c(c1)CNC2
InChIInChI=1S/C18H17F2N5O2S.C2H6/c1-28(26)25(15-5-3-11-7-21-8-13(11)6-15)10-14-4-2-12(9-22-14)17-23-24-18(27-17)16(19)20;1-2/h2-6,9,16,21H,7-8,10H2,1H3;1-2H3
InChIKeyQNDKQCUKCDHENX-UHFFFAOYSA-N
XLogP4.00
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane with MolForge

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Related Compounds

N-(4-chloro-3-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145238689
N-(3-chloro-4-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145239055
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239716
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-3-pyrrolidin-1-ylpropane-1-sulfinamide
CID 145239225
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyloxolane-3-sulfinamide
CID 145238623
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4-(oxetan-3-yl)piperazine-1-sulfinamide
CID 145239808
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 175811436
acetaldehyde;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4,5-trimethyl-N-phenylpiperazine-1-sulfinamide
CID 145239715
N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
CID 155729646
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113
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-[[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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane (CID 145238560) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane is CC.CS(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane?
The InChIKey is QNDKQCUKCDHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2S.C2H6/c1-28(26)25(15-5-3-11-7-21-8-13(11)6-15)10-14-4-2-12(9-22-14)17-23-24-18(27-17)16(19)20;1-2/h2-6,9,16,21H,7-8,10H2,1H3;1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane has a molecular weight of 435.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(2,3-dihydro-1H-isoindol-5-yl)methanesulfinamide;ethane is sourced from PubChem (CID 145238560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).