N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

C25H22FN3O2S — CID 16508073

IUPACN-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H22FN3O2S/c26-22-13-11-21(12-14-22)24-27-28-25(31-24)32-18-23(30)29(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2
InChIKeyHZFFPHFGQFHFGF-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.24
Rot. Bonds9

About N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 16508073) has the molecular formula C25H22FN3O2S and a molecular weight of 447.54 g/mol. Its IUPAC name is N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID16508073
Molecular FormulaC25H22FN3O2S
Molecular Weight447.54 g/mol
Exact Mass447.14
IUPAC NameN-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H22FN3O2S/c26-22-13-11-21(12-14-22)24-27-28-25(31-24)32-18-23(30)29(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2
InChIKeyHZFFPHFGQFHFGF-UHFFFAOYSA-N
XLogP5.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 55328188
N-benzyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 29406867
N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 78798952
N-benzyl-N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581957
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7633247
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
N-cyclopropyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9298644
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diphenylacetamide
CID 3147952
N-ethyl-N-(2-methylprop-2-enyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78761564
N-benzyl-2-(4-fluorophenyl)sulfanyl-N-propylacetamide
CID 134028397
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 1074038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 16508073) is N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is HZFFPHFGQFHFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2S/c26-22-13-11-21(12-14-22)24-27-28-25(31-24)32-18-23(30)29(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14H,15-18H2.
What are the key properties of N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 447.54 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16508073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).