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

C20H21N3O6S — CID 41145994

IUPACN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C20H21N3O6S/c1-4-30(25,26)17-7-5-13(6-8-17)9-18(24)21-20-23-22-19(29-20)14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,23,24)
InChIKeyWSHUYHHZLYBJBA-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.73
Rot. Bonds8

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

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 41145994) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID41145994
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC NameN-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1
InChIInChI=1S/C20H21N3O6S/c1-4-30(25,26)17-7-5-13(6-8-17)9-18(24)21-20-23-22-19(29-20)14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,23,24)
InChIKeyWSHUYHHZLYBJBA-UHFFFAOYSA-N
XLogP2.73
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 4075839
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43977681
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 41145994) is N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3cc(OC)cc(OC)c3)o2)cc1.
What is the InChIKey of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is WSHUYHHZLYBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-4-30(25,26)17-7-5-13(6-8-17)9-18(24)21-20-23-22-19(29-20)14-10-15(27-2)12-16(11-14)28-3/h5-8,10-12H,4,9H2,1-3H3,(H,21,23,24).
What are the key properties of N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 431.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 41145994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).