4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide

C26H23N5O3S — CID 46295667

IUPAC4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1
InChIInChI=1S/C26H23N5O3S/c1-18-6-12-23(13-7-18)35(32,33)30-22-10-8-20(9-11-22)15-31-16-24(27-17-31)26-28-25(29-34-26)21-5-3-4-19(2)14-21/h3-14,16-17,30H,15H2,1-2H3
InChIKeyJKEGSWAOSWAPSY-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.07
Rot. Bonds7

About 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide

4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide (PubChem CID 46295667) has the molecular formula C26H23N5O3S and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
PubChem CID46295667
Molecular FormulaC26H23N5O3S
Molecular Weight485.57 g/mol
Exact Mass485.15
IUPAC Name4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1
InChIInChI=1S/C26H23N5O3S/c1-18-6-12-23(13-7-18)35(32,33)30-22-10-8-20(9-11-22)15-31-16-24(27-17-31)26-28-25(29-34-26)21-5-3-4-19(2)14-21/h3-14,16-17,30H,15H2,1-2H3
InChIKeyJKEGSWAOSWAPSY-UHFFFAOYSA-N
XLogP5.07
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 46295685
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 50769169
N-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 50769168
3,4-difluoro-N-[4-[[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 50769117
2-fluoro-N-[4-[[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide
CID 46295639
4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline
CID 46507035
1-(4-ethoxyphenyl)-3-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 46506944
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
1-[4-[[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53058474
1-[4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]-3-(2-methylphenyl)urea
CID 53058540
1-(3-chlorophenyl)-3-[4-[[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]urea
CID 53058493
4-[[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]aniline
CID 46507006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide (CID 46295667) is 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cnc(-c4nc(-c5cccc(C)c5)no4)c3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide?
The InChIKey is JKEGSWAOSWAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3S/c1-18-6-12-23(13-7-18)35(32,33)30-22-10-8-20(9-11-22)15-31-16-24(27-17-31)26-28-25(29-34-26)21-5-3-4-19(2)14-21/h3-14,16-17,30H,15H2,1-2H3.
What are the key properties of 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide?
4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide has a molecular weight of 485.57 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 46295667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).