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

C24H22N4O5S — CID 2159040

IUPAC4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
InChIInChI=1S/C24H22N4O5S/c1-28(16-17-8-4-3-5-9-17)34(30,31)19-14-12-18(13-15-19)22(29)25-24-27-26-23(33-24)20-10-6-7-11-21(20)32-2/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyYNPAJRVOBGCEJR-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.82
Rot. Bonds8

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

4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2159040) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2159040
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
InChIInChI=1S/C24H22N4O5S/c1-28(16-17-8-4-3-5-9-17)34(30,31)19-14-12-18(13-15-19)22(29)25-24-27-26-23(33-24)20-10-6-7-11-21(20)32-2/h3-15H,16H2,1-2H3,(H,25,27,29)
InChIKeyYNPAJRVOBGCEJR-UHFFFAOYSA-N
XLogP3.82
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2159040) is 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is YNPAJRVOBGCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-28(16-17-8-4-3-5-9-17)34(30,31)19-14-12-18(13-15-19)22(29)25-24-27-26-23(33-24)20-10-6-7-11-21(20)32-2/h3-15H,16H2,1-2H3,(H,25,27,29).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 478.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2159040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).