N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C26H25N3O2S — CID 3137384

IUPACN-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C26H25N3O2S/c1-26(2,3)20-15-13-18(14-16-20)17-32-25-29-28-24(31-25)21-11-7-8-12-22(21)27-23(30)19-9-5-4-6-10-19/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyZWEBXSFCUCGYRH-UHFFFAOYSA-N
MW443.57 g/mol
LogP6.58
Rot. Bonds6

About N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 3137384) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID3137384
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C26H25N3O2S/c1-26(2,3)20-15-13-18(14-16-20)17-32-25-29-28-24(31-25)21-11-7-8-12-22(21)27-23(30)19-9-5-4-6-10-19/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyZWEBXSFCUCGYRH-UHFFFAOYSA-N
XLogP6.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 3137384) is N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is ZWEBXSFCUCGYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-26(2,3)20-15-13-18(14-16-20)17-32-25-29-28-24(31-25)21-11-7-8-12-22(21)27-23(30)19-9-5-4-6-10-19/h4-16H,17H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 443.57 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 3137384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).