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

C19H20N4O4S — CID 2155679

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-23(13-15-7-5-4-6-8-15)28(25,26)17-11-9-16(10-12-17)18(24)20-19-22-21-14(2)27-19/h4-12H,3,13H2,1-2H3,(H,20,22,24)
InChIKeyMDTNSUYILIPXHT-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.84
Rot. Bonds7

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

4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2155679) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2155679
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-23(13-15-7-5-4-6-8-15)28(25,26)17-11-9-16(10-12-17)18(24)20-19-22-21-14(2)27-19/h4-12H,3,13H2,1-2H3,(H,20,22,24)
InChIKeyMDTNSUYILIPXHT-UHFFFAOYSA-N
XLogP2.84
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2155679) is 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C)o2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MDTNSUYILIPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-23(13-15-7-5-4-6-8-15)28(25,26)17-11-9-16(10-12-17)18(24)20-19-22-21-14(2)27-19/h4-12H,3,13H2,1-2H3,(H,20,22,24).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2155679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).