N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

C23H19N3O2S — CID 7295032

IUPACN-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESCSc1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O2S/c1-29-19-14-8-13-18(15-19)22-25-26-23(28-22)24-21(27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,26,27)
InChIKeyVGESAHGFFNHLRO-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.23
Rot. Bonds6

About N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide

N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 7295032) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
PubChem CID7295032
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESCSc1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O2S/c1-29-19-14-8-13-18(15-19)22-25-26-23(28-22)24-21(27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,26,27)
InChIKeyVGESAHGFFNHLRO-UHFFFAOYSA-N
XLogP5.23
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-diphenyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227501
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
N-hydroxy-2-[3-(3-methylsulfanylphenyl)phenyl]-2-phenylacetamide
CID 135320163
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 43972132
2,4-difluoro-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977353
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977425
1-(5-chloro-2-methoxyphenyl)-3-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 52906586

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (CID 7295032) is N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is CSc1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1.
What is the InChIKey of N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is VGESAHGFFNHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-29-19-14-8-13-18(15-19)22-25-26-23(28-22)24-21(27)20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,24,26,27).
What are the key properties of N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 401.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 7295032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).