N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

C17H17N3O3S — CID 46933653

IUPACN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3
InChIKeyZHMGLGGFMZNEOK-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.30
Rot. Bonds5

About N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide

N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (PubChem CID 46933653) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
PubChem CID46933653
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3
InChIKeyZHMGLGGFMZNEOK-UHFFFAOYSA-N
XLogP3.30
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
N-[(4-methanesulfonamidophenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10162609
2-(4-Methylphenyl)-5-(4-nitrobenzyl)-1,3,4-oxadiazole
CID 16193671
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
[5-(4-Ethanesulfonylamino-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid methyl ester
CID 647980
{5-[4-(Toluene-4-sulfonylamino)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetic acid ethyl ester
CID 654288
N-{4-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-benzenesulfonamide
CID 1432093
N-(4-methylphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660744
Methyl 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 651381
4-[5-[(1,1-Dioxo-1-benzothiophen-3-yl)sulfanyl]-1,3,4-oxadiazol-2-yl]aniline
CID 145990969
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2799976
4-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 834730

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide (CID 46933653) is N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
The InChIKey is ZHMGLGGFMZNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-3-7-14(8-4-12)17-19-18-16(23-17)11-24(21,22)20-15-9-5-13(2)6-10-15/h3-10,20H,11H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide?
N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 46933653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).