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

C22H26N4O6S — CID 4138922

IUPAC4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O6S/c1-5-6-13-26(2)33(28,29)17-10-7-15(8-11-17)20(27)23-22-25-24-21(32-22)16-9-12-18(30-3)19(14-16)31-4/h7-12,14H,5-6,13H2,1-4H3,(H,23,25,27)
InChIKeyZCCAPIFHKJKZDW-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.43
Rot. Bonds10

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

4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4138922) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4138922
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C22H26N4O6S/c1-5-6-13-26(2)33(28,29)17-10-7-15(8-11-17)20(27)23-22-25-24-21(32-22)16-9-12-18(30-3)19(14-16)31-4/h7-12,14H,5-6,13H2,1-4H3,(H,23,25,27)
InChIKeyZCCAPIFHKJKZDW-UHFFFAOYSA-N
XLogP3.43
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228640
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4046837
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 5079667
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4138922) is 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZCCAPIFHKJKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-5-6-13-26(2)33(28,29)17-10-7-15(8-11-17)20(27)23-22-25-24-21(32-22)16-9-12-18(30-3)19(14-16)31-4/h7-12,14H,5-6,13H2,1-4H3,(H,23,25,27).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 474.54 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4138922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).