3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

C19H24N4O5S — CID 3242245

IUPAC3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1OC
InChIInChI=1S/C19H24N4O5S/c1-26-14-7-6-13(10-15(14)27-2)18(25)20-11-16-21-22-19(28-16)29-12-17(24)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,25)
InChIKeyPKPROJHXLIWTOK-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.12
Rot. Bonds8

About 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 3242245) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID3242245
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1OC
InChIInChI=1S/C19H24N4O5S/c1-26-14-7-6-13(10-15(14)27-2)18(25)20-11-16-21-22-19(28-16)29-12-17(24)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,25)
InChIKeyPKPROJHXLIWTOK-UHFFFAOYSA-N
XLogP2.12
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 3242245) is 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is PKPROJHXLIWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-26-14-7-6-13(10-15(14)27-2)18(25)20-11-16-21-22-19(28-16)29-12-17(24)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,20,25).
What are the key properties of 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 3242245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).