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

C23H19N3O4S — CID 44921766

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c27-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)24-23-26-25-20(30-23)16-31(28,29)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,24,26,27)
InChIKeyISXNWWMYCPQCDY-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.81
Rot. Bonds7

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

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 44921766) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
PubChem CID44921766
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19N3O4S/c27-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)24-23-26-25-20(30-23)16-31(28,29)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,24,26,27)
InChIKeyISXNWWMYCPQCDY-UHFFFAOYSA-N
XLogP3.81
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 44921726
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 44921813
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 44921756
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 16854555
2,2-diphenyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227501
2,2-diphenyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 22661060
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 44921833
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide (CID 44921766) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is ISXNWWMYCPQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c27-22(21(17-10-4-1-5-11-17)18-12-6-2-7-13-18)24-23-26-25-20(30-23)16-31(28,29)19-14-8-3-9-15-19/h1-15,21H,16H2,(H,24,26,27).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 433.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 44921766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).