N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

C23H22N4O7S — CID 18584128

IUPACN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)o2)c(OC)c1
InChIInChI=1S/C23H22N4O7S/c1-27(14-17-5-4-12-33-17)35(29,30)18-9-6-15(7-10-18)21(28)24-23-26-25-22(34-23)19-11-8-16(31-2)13-20(19)32-3/h4-13H,14H2,1-3H3,(H,24,26,28)
InChIKeyARTWQAVJMMNYQU-UHFFFAOYSA-N
MW498.52 g/mol
LogP3.42
Rot. Bonds9

About N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 18584128) has the molecular formula C23H22N4O7S and a molecular weight of 498.52 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
PubChem CID18584128
Molecular FormulaC23H22N4O7S
Molecular Weight498.52 g/mol
Exact Mass498.12
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)o2)c(OC)c1
InChIInChI=1S/C23H22N4O7S/c1-27(14-17-5-4-12-33-17)35(29,30)18-9-6-15(7-10-18)21(28)24-23-26-25-22(34-23)19-11-8-16(31-2)13-20(19)32-3/h4-13H,14H2,1-3H3,(H,24,26,28)
InChIKeyARTWQAVJMMNYQU-UHFFFAOYSA-N
XLogP3.42
TPSA137.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656142
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 7254233
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959643
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
3-bromo-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4092895
4-[cyclohexyl(ethyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854263
4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 18584128) is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)o2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The InChIKey is ARTWQAVJMMNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O7S/c1-27(14-17-5-4-12-33-17)35(29,30)18-9-6-15(7-10-18)21(28)24-23-26-25-22(34-23)19-11-8-16(31-2)13-20(19)32-3/h4-13H,14H2,1-3H3,(H,24,26,28).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 498.52 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 18584128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).