N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

C24H29N5O3S — CID 46220482

IUPACN-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H29N5O3S/c1-16-5-3-4-12-29(16)22-9-8-19(14-21(22)28-33(2,30)31)24-26-23(27-32-24)18-7-6-17-10-11-25-15-20(17)13-18/h6-9,13-14,16,25,28H,3-5,10-12,15H2,1-2H3
InChIKeyXRVCQYWACVYGAA-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide

N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (PubChem CID 46220482) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
PubChem CID46220482
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
SMILESCC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O
InChIInChI=1S/C24H29N5O3S/c1-16-5-3-4-12-29(16)22-9-8-19(14-21(22)28-33(2,30)31)24-26-23(27-32-24)18-7-6-17-10-11-25-15-20(17)13-18/h6-9,13-14,16,25,28H,3-5,10-12,15H2,1-2H3
InChIKeyXRVCQYWACVYGAA-UHFFFAOYSA-N
XLogP3.80
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide (CID 46220482) is N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is XRVCQYWACVYGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-16-5-3-4-12-29(16)22-9-8-19(14-21(22)28-33(2,30)31)24-26-23(27-32-24)18-7-6-17-10-11-25-15-20(17)13-18/h6-9,13-14,16,25,28H,3-5,10-12,15H2,1-2H3.
What are the key properties of N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide?
N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 467.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)-5-[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 46220482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).