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

C21H18N4O5S — CID 4614366

IUPAC4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C21H18N4O5S/c1-2-25(16-7-4-3-5-8-16)31(27,28)17-12-10-15(11-13-17)19(26)22-21-24-23-20(30-21)18-9-6-14-29-18/h3-14H,2H2,1H3,(H,22,24,26)
InChIKeyPAKBTZWJGQABNP-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.80
Rot. Bonds7

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

4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4614366) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4614366
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Name4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C21H18N4O5S/c1-2-25(16-7-4-3-5-8-16)31(27,28)17-12-10-15(11-13-17)19(26)22-21-24-23-20(30-21)18-9-6-14-29-18/h3-14H,2H2,1H3,(H,22,24,26)
InChIKeyPAKBTZWJGQABNP-UHFFFAOYSA-N
XLogP3.80
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4614366) is 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is PAKBTZWJGQABNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-2-25(16-7-4-3-5-8-16)31(27,28)17-12-10-15(11-13-17)19(26)22-21-24-23-20(30-21)18-9-6-14-29-18/h3-14H,2H2,1H3,(H,22,24,26).
What are the key properties of 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 438.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(phenyl)sulfamoyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4614366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).