2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone

C21H22N4O4S — CID 4588662

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1nnc(Cc2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O4S/c26-20(25-13-11-24(12-14-25)18-9-5-2-6-10-18)16-30(27,28)21-23-22-19(29-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyZZDITJRYXGTSIA-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.78
Rot. Bonds6

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 4588662) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID4588662
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1nnc(Cc2ccccc2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H22N4O4S/c26-20(25-13-11-24(12-14-25)18-9-5-2-6-10-18)16-30(27,28)21-23-22-19(29-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyZZDITJRYXGTSIA-UHFFFAOYSA-N
XLogP1.78
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone 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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1008010
2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole
CID 121219782
ethyl 4-[2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]piperazine-1-carboxylate
CID 4656849
2-benzyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110653301
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
3-benzylsulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2228001
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)amino]-1-morpholin-4-ylethanone
CID 166241940
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
5-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110393326
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfonyl-N-phenylacetamide
CID 39076123
(Z)-5-phenyl-1-(4-phenylpiperazin-1-yl)pent-3-en-1-one
CID 143517257
2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 20911073

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 4588662) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CS(=O)(=O)c1nnc(Cc2ccccc2)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is ZZDITJRYXGTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-20(25-13-11-24(12-14-25)18-9-5-2-6-10-18)16-30(27,28)21-23-22-19(29-21)15-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 426.50 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 4588662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).