5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole

C25H26N4O3S2 — CID 50821719

IUPAC5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(-c5ccccc5)no4)sc3C)CC2)c1C
InChIInChI=1S/C25H26N4O3S2/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)34(30,31)23-16-22(33-19(23)3)25-26-24(27-32-25)20-9-5-4-6-10-20/h4-11,16H,12-15H2,1-3H3
InChIKeyAOFZOVMFQBXUJY-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.90
Rot. Bonds5

About 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50821719) has the molecular formula C25H26N4O3S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50821719
Molecular FormulaC25H26N4O3S2
Molecular Weight494.64 g/mol
Exact Mass494.14
IUPAC Name5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(-c5ccccc5)no4)sc3C)CC2)c1C
InChIInChI=1S/C25H26N4O3S2/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)34(30,31)23-16-22(33-19(23)3)25-26-24(27-32-25)20-9-5-4-6-10-20/h4-11,16H,12-15H2,1-3H3
InChIKeyAOFZOVMFQBXUJY-UHFFFAOYSA-N
XLogP4.90
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole 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

5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822112
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019
5-[5-methyl-4-(2-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822086
5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842818
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
CID 20934947
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558
N-cyclohexyl-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821802
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole
CID 20935061
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 50821719) is 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole is Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4nc(-c5ccccc5)no4)sc3C)CC2)c1C.
What is the InChIKey of 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is AOFZOVMFQBXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S2/c1-17-8-7-11-21(18(17)2)28-12-14-29(15-13-28)34(30,31)23-16-22(33-19(23)3)25-26-24(27-32-25)20-9-5-4-6-10-20/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 494.64 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50821719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).