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

C24H30N4O4S — CID 16917738

IUPAC4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C24H30N4O4S/c1-5-7-14-28(6-2)33(30,31)21-12-10-19(11-13-21)23(29)25-24-27-26-22(32-24)16-20-9-8-17(3)15-18(20)4/h8-13,15H,5-7,14,16H2,1-4H3,(H,25,27,29)
InChIKeyKYULTCKWZRAFJF-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.34
Rot. Bonds10

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

4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16917738) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16917738
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C24H30N4O4S/c1-5-7-14-28(6-2)33(30,31)21-12-10-19(11-13-21)23(29)25-24-27-26-22(32-24)16-20-9-8-17(3)15-18(20)4/h8-13,15H,5-7,14,16H2,1-4H3,(H,25,27,29)
InChIKeyKYULTCKWZRAFJF-UHFFFAOYSA-N
XLogP4.34
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 16917746
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 16917667
4-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 41179038
ethyl 4-[4-[[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 16917725
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974001
4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-(diethylsulfamoyl)-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587666
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 16917738) is 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is KYULTCKWZRAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-5-7-14-28(6-2)33(30,31)21-12-10-19(11-13-21)23(29)25-24-27-26-22(32-24)16-20-9-8-17(3)15-18(20)4/h8-13,15H,5-7,14,16H2,1-4H3,(H,25,27,29).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).