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

C21H23N5O4S — CID 18553446

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C21H23N5O4S/c1-26(17-7-3-2-4-8-17)31(28,29)18-11-9-15(10-12-18)19(27)23-21-25-24-20(30-21)16-6-5-13-22-14-16/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,25,27)
InChIKeyBJIXOAIELYVBRO-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.34
Rot. Bonds6

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

4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 18553446) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID18553446
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C21H23N5O4S/c1-26(17-7-3-2-4-8-17)31(28,29)18-11-9-15(10-12-18)19(27)23-21-25-24-20(30-21)16-6-5-13-22-14-16/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,25,27)
InChIKeyBJIXOAIELYVBRO-UHFFFAOYSA-N
XLogP3.34
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
4-piperidin-1-ylsulfonyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4072968
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3557609
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5074075
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 43952099
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41364015
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974341
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4053542
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 18553446) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is BJIXOAIELYVBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-26(17-7-3-2-4-8-17)31(28,29)18-11-9-15(10-12-18)19(27)23-21-25-24-20(30-21)16-6-5-13-22-14-16/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,25,27).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 441.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 18553446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).