N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C17H20N4O4S — CID 2051160

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O4S/c22-15(18-17-20-19-16(25-17)13-4-5-13)12-6-8-14(9-7-12)26(23,24)21-10-2-1-3-11-21/h6-9,13H,1-5,10-11H2,(H,18,20,22)
InChIKeyPLKPVBOIIGADJP-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.37
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2051160) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2051160
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N4O4S/c22-15(18-17-20-19-16(25-17)13-4-5-13)12-6-8-14(9-7-12)26(23,24)21-10-2-1-3-11-21/h6-9,13H,1-5,10-11H2,(H,18,20,22)
InChIKeyPLKPVBOIIGADJP-UHFFFAOYSA-N
XLogP2.37
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 2051160) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nnc(C2CC2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PLKPVBOIIGADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c22-15(18-17-20-19-16(25-17)13-4-5-13)12-6-8-14(9-7-12)26(23,24)21-10-2-1-3-11-21/h6-9,13H,1-5,10-11H2,(H,18,20,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2051160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).