[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

C18H24N4O4S — CID 110396613

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1C
InChIInChI=1S/C18H24N4O4S/c1-12(2)16-19-20-17(26-16)18(23)21-7-9-22(10-8-21)27(24,25)15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUWNXHKZNHVBBLG-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.96
Rot. Bonds4

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 110396613) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID110396613
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1C
InChIInChI=1S/C18H24N4O4S/c1-12(2)16-19-20-17(26-16)18(23)21-7-9-22(10-8-21)27(24,25)15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3
InChIKeyUWNXHKZNHVBBLG-UHFFFAOYSA-N
XLogP1.96
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396609
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396633
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940
(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396546
2-[[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 110395948
3,3-dimethyl-1-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110396603
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
(2S)-2-amino-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678959
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 39696465

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 110396613) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is UWNXHKZNHVBBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12(2)16-19-20-17(26-16)18(23)21-7-9-22(10-8-21)27(24,25)15-6-5-13(3)14(4)11-15/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 110396613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).