1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate

C17H17N3O6S2 — CID 43065260

IUPAC1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)CNS(=O)(=O)c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O6S2/c1-11(25-14(21)10-18-28(22,23)15-4-3-9-27-15)16-19-20-17(26-16)12-5-7-13(24-2)8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyAHUICZQTRNOMMA-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.39
Rot. Bonds8

About 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 43065260) has the molecular formula C17H17N3O6S2 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID43065260
Molecular FormulaC17H17N3O6S2
Molecular Weight423.47 g/mol
Exact Mass423.06
IUPAC Name1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate
SMILESCOc1ccc(-c2nnc(C(C)OC(=O)CNS(=O)(=O)c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O6S2/c1-11(25-14(21)10-18-28(22,23)15-4-3-9-27-15)16-19-20-17(26-16)12-5-7-13(24-2)8-6-12/h3-9,11,18H,10H2,1-2H3
InChIKeyAHUICZQTRNOMMA-UHFFFAOYSA-N
XLogP2.39
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate with MolForge

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Related Compounds

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chlorophenoxy)acetate
CID 9229442
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18209599
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 9201074
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735244
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-[(3-chlorophenyl)methylsulfanyl]acetate
CID 43032940
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8949232
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-1-carboxylate
CID 9290248
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405510
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methylbenzoate
CID 9202539
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110320059
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 8578381

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate (CID 43065260) is 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate is COc1ccc(-c2nnc(C(C)OC(=O)CNS(=O)(=O)c3cccs3)o2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is AHUICZQTRNOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S2/c1-11(25-14(21)10-18-28(22,23)15-4-3-9-27-15)16-19-20-17(26-16)12-5-7-13(24-2)8-6-12/h3-9,11,18H,10H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate?
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 423.47 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 43065260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).