4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C18H18N4O4S2 — CID 2051061

IUPAC4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-16(19-18-21-20-17(26-18)15-5-4-12-27-15)13-6-8-14(9-7-13)28(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,19,21,23)
InChIKeyHETZBPREYFGYBC-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.22
Rot. Bonds5

About 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051061) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051061
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H18N4O4S2/c23-16(19-18-21-20-17(26-18)15-5-4-12-27-15)13-6-8-14(9-7-13)28(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,19,21,23)
InChIKeyHETZBPREYFGYBC-UHFFFAOYSA-N
XLogP3.22
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051061) is 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is HETZBPREYFGYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c23-16(19-18-21-20-17(26-18)15-5-4-12-27-15)13-6-8-14(9-7-13)28(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H,19,21,23).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).