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

C25H30N4O6S — CID 16854263

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)o2)cc1
InChIInChI=1S/C25H30N4O6S/c1-4-29(18-8-6-5-7-9-18)36(31,32)20-13-10-17(11-14-20)23(30)26-25-28-27-24(35-25)21-16-19(33-2)12-15-22(21)34-3/h10-16,18H,4-9H2,1-3H3,(H,26,28,30)
InChIKeyVUAIFKTUVHEXNU-UHFFFAOYSA-N
MW514.60 g/mol
LogP4.35
Rot. Bonds9

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

4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16854263) has the molecular formula C25H30N4O6S and a molecular weight of 514.60 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16854263
Molecular FormulaC25H30N4O6S
Molecular Weight514.60 g/mol
Exact Mass514.19
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)o2)cc1
InChIInChI=1S/C25H30N4O6S/c1-4-29(18-8-6-5-7-9-18)36(31,32)20-13-10-17(11-14-20)23(30)26-25-28-27-24(35-25)21-16-19(33-2)12-15-22(21)34-3/h10-16,18H,4-9H2,1-3H3,(H,26,28,30)
InChIKeyVUAIFKTUVHEXNU-UHFFFAOYSA-N
XLogP4.35
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3557609
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 18584128
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41059634
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110507
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16854216
4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43977695
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16854218

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16854263) is 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(OC)ccc3OC)o2)cc1.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VUAIFKTUVHEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6S/c1-4-29(18-8-6-5-7-9-18)36(31,32)20-13-10-17(11-14-20)23(30)26-25-28-27-24(35-25)21-16-19(33-2)12-15-22(21)34-3/h10-16,18H,4-9H2,1-3H3,(H,26,28,30).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 514.60 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16854263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).