4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C23H21N5O4S — CID 5105590

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C23H21N5O4S/c1-2-28(16-17-7-4-3-5-8-17)33(30,31)20-12-10-18(11-13-20)21(29)25-23-27-26-22(32-23)19-9-6-14-24-15-19/h3-15H,2,16H2,1H3,(H,25,27,29)
InChIKeyODKZEFBOJFTPDI-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.59
Rot. Bonds8

About 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 5105590) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID5105590
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C23H21N5O4S/c1-2-28(16-17-7-4-3-5-8-17)33(30,31)20-12-10-18(11-13-20)21(29)25-23-27-26-22(32-23)19-9-6-14-24-15-19/h3-15H,2,16H2,1H3,(H,25,27,29)
InChIKeyODKZEFBOJFTPDI-UHFFFAOYSA-N
XLogP3.59
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 5105590) is 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ODKZEFBOJFTPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c1-2-28(16-17-7-4-3-5-8-17)33(30,31)20-12-10-18(11-13-20)21(29)25-23-27-26-22(32-23)19-9-6-14-24-15-19/h3-15H,2,16H2,1H3,(H,25,27,29).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 463.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 5105590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).