2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C22H26N4O4S — CID 110658558

IUPAC2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1C
InChIInChI=1S/C22H26N4O4S/c1-17-16-19(8-9-20(17)29-2)31(27,28)26-14-12-25(13-15-26)11-10-21-23-24-22(30-21)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3
InChIKeyUXUDDTAQIKODID-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.60
Rot. Bonds7

About 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110658558) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110658558
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1C
InChIInChI=1S/C22H26N4O4S/c1-17-16-19(8-9-20(17)29-2)31(27,28)26-14-12-25(13-15-26)11-10-21-23-24-22(30-21)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3
InChIKeyUXUDDTAQIKODID-UHFFFAOYSA-N
XLogP2.60
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658572
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 37498592
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78787636
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 112823091

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110658558) is 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCN(CCc3nnc(-c4ccccc4)o3)CC2)cc1C.
What is the InChIKey of 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is UXUDDTAQIKODID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-17-16-19(8-9-20(17)29-2)31(27,28)26-14-12-25(13-15-26)11-10-21-23-24-22(30-21)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 442.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110658558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).