4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C25H32N4O6S — CID 4046837

IUPAC4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c(OC)cccc3OC)o2)cc1
InChIInChI=1S/C25H32N4O6S/c1-5-7-16-29(17-8-6-2)36(31,32)19-14-12-18(13-15-19)23(30)26-25-28-27-24(35-25)22-20(33-3)10-9-11-21(22)34-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,28,30)
InChIKeyWDZKRQBVDFLCLD-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.60
Rot. Bonds13

About 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4046837) has the molecular formula C25H32N4O6S and a molecular weight of 516.62 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4046837
Molecular FormulaC25H32N4O6S
Molecular Weight516.62 g/mol
Exact Mass516.20
IUPAC Name4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c(OC)cccc3OC)o2)cc1
InChIInChI=1S/C25H32N4O6S/c1-5-7-16-29(17-8-6-2)36(31,32)19-14-12-18(13-15-19)23(30)26-25-28-27-24(35-25)22-20(33-3)10-9-11-21(22)34-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,28,30)
InChIKeyWDZKRQBVDFLCLD-UHFFFAOYSA-N
XLogP4.60
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.60
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-(dibutylsulfamoyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977026
N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 3346875
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 43976959
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028039
4-(diethylsulfamoyl)-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 40957022

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4046837) is 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c(OC)cccc3OC)o2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WDZKRQBVDFLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6S/c1-5-7-16-29(17-8-6-2)36(31,32)19-14-12-18(13-15-19)23(30)26-25-28-27-24(35-25)22-20(33-3)10-9-11-21(22)34-4/h9-15H,5-8,16-17H2,1-4H3,(H,26,28,30).
What are the key properties of 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 516.62 g/mol, XLogP of 4.60, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[5-(2,6-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4046837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).