2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide

C19H19N3O4S2 — CID 44921547

IUPAC2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-2-28(24,25)16-10-8-14(9-11-16)12-17(23)20-19-22-21-18(26-19)13-27-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyWZZRAWVTHNCLNS-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.34
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 44921547) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID44921547
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-2-28(24,25)16-10-8-14(9-11-16)12-17(23)20-19-22-21-18(26-19)13-27-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23)
InChIKeyWZZRAWVTHNCLNS-UHFFFAOYSA-N
XLogP3.34
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 44921707
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838897
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494
2-phenylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974901
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145994
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 16917468
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
4-(4-fluorophenyl)sulfonyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921691

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 44921547) is 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(CSc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WZZRAWVTHNCLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-2-28(24,25)16-10-8-14(9-11-16)12-17(23)20-19-22-21-18(26-19)13-27-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,20,22,23).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 44921547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).