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

C18H22N4O4S — CID 4140680

IUPAC4-methoxy-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)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-14-7-5-13(6-8-14)17(24)19-11-15-20-21-18(26-15)27-12-16(23)22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H,19,24)
InChIKeyQRKQTYBQIHGZKD-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.11
Rot. Bonds7

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

4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 4140680) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID4140680
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-methoxy-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)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-14-7-5-13(6-8-14)17(24)19-11-15-20-21-18(26-15)27-12-16(23)22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H,19,24)
InChIKeyQRKQTYBQIHGZKD-UHFFFAOYSA-N
XLogP2.11
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 4140680) is 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-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)cc1.
What is the InChIKey of 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is QRKQTYBQIHGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-14-7-5-13(6-8-14)17(24)19-11-15-20-21-18(26-15)27-12-16(23)22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H,19,24).
What are the key properties of 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4140680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).