5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C17H21N5O4S — CID 110395835

IUPAC5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCc1nnc(CCN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)o1
InChIInChI=1S/C17H21N5O4S/c1-12-19-20-17(26-12)4-5-21-6-8-22(9-7-21)27(24,25)14-2-3-15-13(10-14)11-16(23)18-15/h2-3,10H,4-9,11H2,1H3,(H,18,23)
InChIKeyXBWYPFGYKWIUIS-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.42
Rot. Bonds5

About 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110395835) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID110395835
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESCc1nnc(CCN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)o1
InChIInChI=1S/C17H21N5O4S/c1-12-19-20-17(26-12)4-5-21-6-8-22(9-7-21)27(24,25)14-2-3-15-13(10-14)11-16(23)18-15/h2-3,10H,4-9,11H2,1H3,(H,18,23)
InChIKeyXBWYPFGYKWIUIS-UHFFFAOYSA-N
XLogP0.42
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395798
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395814
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110658417
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
2-[2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 110395827
5-(3,4,5-trimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110662434
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
2-methyl-5-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395826
2-methyl-5-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 110395825
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 110395835) is 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is Cc1nnc(CCN2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)o1.
What is the InChIKey of 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is XBWYPFGYKWIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-12-19-20-17(26-12)4-5-21-6-8-22(9-7-21)27(24,25)14-2-3-15-13(10-14)11-16(23)18-15/h2-3,10H,4-9,11H2,1H3,(H,18,23).
What are the key properties of 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 391.45 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110395835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).