furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone

C24H22N4O5S — CID 46397260

IUPACfuran-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C24H22N4O5S/c1-17-8-10-18(11-9-17)22-25-23(33-26-22)19-5-2-3-7-21(19)34(30,31)28-14-12-27(13-15-28)24(29)20-6-4-16-32-20/h2-11,16H,12-15H2,1H3
InChIKeyNPBJAALPBMZWEH-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.45
Rot. Bonds5

About furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone

furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 46397260) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID46397260
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Namefuran-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C24H22N4O5S/c1-17-8-10-18(11-9-17)22-25-23(33-26-22)19-5-2-3-7-21(19)34(30,31)28-14-12-27(13-15-28)24(29)20-6-4-16-32-20/h2-11,16H,12-15H2,1H3
InChIKeyNPBJAALPBMZWEH-UHFFFAOYSA-N
XLogP3.45
TPSA109.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone 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

[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991
5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842818
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 20930695
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842971
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 110414490
5-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 16822023
3,6-bis[[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl]fluoren-9-one
CID 171977750
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
furan-2-yl-[4-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carbonyl]piperazin-1-yl]methanone
CID 46388410

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone (CID 46397260) is furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone is Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is NPBJAALPBMZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-17-8-10-18(11-9-17)22-25-23(33-26-22)19-5-2-3-7-21(19)34(30,31)28-14-12-27(13-15-28)24(29)20-6-4-16-32-20/h2-11,16H,12-15H2,1H3.
What are the key properties of furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 478.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 46397260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).