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

C20H16N4O5S — CID 3430781

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C20H16N4O5S/c1-24(15-6-3-2-4-7-15)30(26,27)16-11-9-14(10-12-16)18(25)21-20-23-22-19(29-20)17-8-5-13-28-17/h2-13H,1H3,(H,21,23,25)
InChIKeyYHQACKQQRDKCTH-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.41
Rot. Bonds6

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 3430781) has the molecular formula C20H16N4O5S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID3430781
Molecular FormulaC20H16N4O5S
Molecular Weight424.44 g/mol
Exact Mass424.08
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C20H16N4O5S/c1-24(15-6-3-2-4-7-15)30(26,27)16-11-9-14(10-12-16)18(25)21-20-23-22-19(29-20)17-8-5-13-28-17/h2-13H,1H3,(H,21,23,25)
InChIKeyYHQACKQQRDKCTH-UHFFFAOYSA-N
XLogP3.41
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5083850
4-[methyl(phenyl)sulfamoyl]-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861329
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43976196
4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 43952112
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16821748
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 4151972
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43973238
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 7158195
4-(dimethylsulfamoyl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861297
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 3430781) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YHQACKQQRDKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O5S/c1-24(15-6-3-2-4-7-15)30(26,27)16-11-9-14(10-12-16)18(25)21-20-23-22-19(29-20)17-8-5-13-28-17/h2-13H,1H3,(H,21,23,25).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 424.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3430781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).