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

C22H26N4O6S — CID 5054216

IUPAC4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)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)18-14-16(30-3)9-12-19(18)31-4/h7-12,14H,5-6,13H2,1-4H3,(H,23,25,27)
InChIKeyBJLPQVFRUIIVIL-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.43
Rot. Bonds10

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

4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 5054216) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID5054216
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)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)18-14-16(30-3)9-12-19(18)31-4/h7-12,14H,5-6,13H2,1-4H3,(H,23,25,27)
InChIKeyBJLPQVFRUIIVIL-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

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922
4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854263
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 18584128
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
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-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228640
4-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977026
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16854216
4-[butyl(methyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4132032
4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 5054216) is 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)o2)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BJLPQVFRUIIVIL-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)18-14-16(30-3)9-12-19(18)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-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-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-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 5054216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).