4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

C25H23N3O4S — CID 26037076

IUPAC4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)o1
InChIInChI=1S/C25H23N3O4S/c1-16-6-4-5-7-22(16)25-28-27-24(32-25)20-10-8-19(9-11-20)23(29)26-17(2)18-12-14-21(15-13-18)33(3,30)31/h4-15,17H,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyPGUSIYSOOQZRJL-QGZVFWFLSA-N
MW461.54 g/mol
LogP4.61
Rot. Bonds6

About 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 26037076) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID26037076
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)o1
InChIInChI=1S/C25H23N3O4S/c1-16-6-4-5-7-22(16)25-28-27-24(32-25)20-10-8-19(9-11-20)23(29)26-17(2)18-12-14-21(15-13-18)33(3,30)31/h4-15,17H,1-3H3,(H,26,29)/t17-/m1/s1
InChIKeyPGUSIYSOOQZRJL-QGZVFWFLSA-N
XLogP4.61
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42934242
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 26037076) is 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)o1.
What is the InChIKey of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is PGUSIYSOOQZRJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-16-6-4-5-7-22(16)25-28-27-24(32-25)20-10-8-19(9-11-20)23(29)26-17(2)18-12-14-21(15-13-18)33(3,30)31/h4-15,17H,1-3H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 26037076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).