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

C21H22N4O4S — CID 41364015

IUPAC4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)o2)c(C)c1
InChIInChI=1S/C21H22N4O4S/c1-13-4-11-18(14(2)12-13)20-23-24-21(29-20)22-19(26)15-5-9-17(10-6-15)30(27,28)25(3)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,22,24,26)
InChIKeyIXMRQUFZZLLIPC-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.39
Rot. Bonds6

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

4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41364015) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID41364015
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)o2)c(C)c1
InChIInChI=1S/C21H22N4O4S/c1-13-4-11-18(14(2)12-13)20-23-24-21(29-20)22-19(26)15-5-9-17(10-6-15)30(27,28)25(3)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,22,24,26)
InChIKeyIXMRQUFZZLLIPC-UHFFFAOYSA-N
XLogP3.39
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
4-[bis(2-cyanoethyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821780
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16821788
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3557609
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7244051
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18553446
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810027
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7533207

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41364015) is 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)o2)c(C)c1.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IXMRQUFZZLLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-13-4-11-18(14(2)12-13)20-23-24-21(29-20)22-19(26)15-5-9-17(10-6-15)30(27,28)25(3)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3,(H,22,24,26).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41364015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).