N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide

C23H30N6O3S — CID 24607704

IUPACN,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)nc1
InChIInChI=1S/C23H30N6O3S/c1-4-29(5-2)33(30,31)20-10-11-21(24-16-20)28-14-12-27(13-15-28)17-22-25-23(26-32-22)19-8-6-18(3)7-9-19/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyAUAPVOVNRFOLON-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.79
Rot. Bonds8

About N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide

N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide (PubChem CID 24607704) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
PubChem CID24607704
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC NameN,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)nc1
InChIInChI=1S/C23H30N6O3S/c1-4-29(5-2)33(30,31)20-10-11-21(24-16-20)28-14-12-27(13-15-28)17-22-25-23(26-32-22)19-8-6-18(3)7-9-19/h6-11,16H,4-5,12-15,17H2,1-3H3
InChIKeyAUAPVOVNRFOLON-UHFFFAOYSA-N
XLogP2.79
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide 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,N-diethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26567307
N,N-diethyl-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 24525934
N,N-diethyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-sulfonamide
CID 29473914
5-[[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16608383
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
4-[5-[5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 53162761
N,N-diethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 4877422
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
5-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 86868254
N-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzenesulfonamide
CID 8874507
3-(4-chlorophenyl)-5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 27122901

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide (CID 24607704) is N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)nc1.
What is the InChIKey of N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide?
The InChIKey is AUAPVOVNRFOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-4-29(5-2)33(30,31)20-10-11-21(24-16-20)28-14-12-27(13-15-28)17-22-25-23(26-32-22)19-8-6-18(3)7-9-19/h6-11,16H,4-5,12-15,17H2,1-3H3.
What are the key properties of N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide?
N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide has a molecular weight of 470.60 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 24607704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).