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

C26H23F2N3O3S — CID 55328188

IUPACN-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H23F2N3O3S/c27-25(28)33-22-13-11-21(12-14-22)24-29-30-26(34-24)35-18-23(32)31(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,25H,15-18H2
InChIKeyYUTWMAGPFVKAKH-UHFFFAOYSA-N
MW495.55 g/mol
LogP5.70
Rot. Bonds11

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

N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 55328188) has the molecular formula C26H23F2N3O3S and a molecular weight of 495.55 g/mol. Its IUPAC name is N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID55328188
Molecular FormulaC26H23F2N3O3S
Molecular Weight495.55 g/mol
Exact Mass495.14
IUPAC NameN-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H23F2N3O3S/c27-25(28)33-22-13-11-21(12-14-22)24-29-30-26(34-24)35-18-23(32)31(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,25H,15-18H2
InChIKeyYUTWMAGPFVKAKH-UHFFFAOYSA-N
XLogP5.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 16508073
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 112787171
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 78765982
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
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55368873
4-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557932
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 51141995
N-benzyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2696272
N-benzyl-N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8581957
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 112787182
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2668274

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 55328188) is N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is YUTWMAGPFVKAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O3S/c27-25(28)33-22-13-11-21(12-14-22)24-29-30-26(34-24)35-18-23(32)31(17-20-9-5-2-6-10-20)16-15-19-7-3-1-4-8-19/h1-14,25H,15-18H2.
What are the key properties of N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 495.55 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55328188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).