2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C19H22N4O3S2 — CID 78787636

IUPAC2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccs4)o3)CC2)cc1C
InChIInChI=1S/C19H22N4O3S2/c1-14-5-6-16(12-15(14)2)28(24,25)23-9-7-22(8-10-23)13-18-20-21-19(26-18)17-4-3-11-27-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyAILCRRYRRJUPEU-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.92
Rot. Bonds5

About 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 78787636) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID78787636
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccs4)o3)CC2)cc1C
InChIInChI=1S/C19H22N4O3S2/c1-14-5-6-16(12-15(14)2)28(24,25)23-9-7-22(8-10-23)13-18-20-21-19(26-18)17-4-3-11-27-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyAILCRRYRRJUPEU-UHFFFAOYSA-N
XLogP2.92
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

1-[4-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78788137
2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395948
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-propan-2-yl-5-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 110395954
2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658558
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
4-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 3922922
1-[4-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 78818485
(1S,3R)-3-ethoxy-7-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 97100866
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 2651732

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 78787636) is 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4cccs4)o3)CC2)cc1C.
What is the InChIKey of 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is AILCRRYRRJUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-14-5-6-16(12-15(14)2)28(24,25)23-9-7-22(8-10-23)13-18-20-21-19(26-18)17-4-3-11-27-17/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 418.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 78787636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).