2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H17N3O5S — CID 30515129

IUPAC2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O5S/c1-22-12-7-10(8-13(23-2)15(12)24-3)16-19-20-17(25-16)18-14(21)9-11-5-4-6-26-11/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyZVIVNJPYEJXSLF-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.01
Rot. Bonds7

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

2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 30515129) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID30515129
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O5S/c1-22-12-7-10(8-13(23-2)15(12)24-3)16-19-20-17(25-16)18-14(21)9-11-5-4-6-26-11/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyZVIVNJPYEJXSLF-UHFFFAOYSA-N
XLogP3.01
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethylsulfanylphenyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 18586837
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16821605
3,4-dimethoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7533120
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 30515342
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3708224
N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 16821623
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719068
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 16536555
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 43976334
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55382470
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031343

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 30515129) is 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is COc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)cc(OC)c1OC.
What is the InChIKey of 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is ZVIVNJPYEJXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-22-12-7-10(8-13(23-2)15(12)24-3)16-19-20-17(25-16)18-14(21)9-11-5-4-6-26-11/h4-8H,9H2,1-3H3,(H,18,20,21).
What are the key properties of 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 375.41 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 30515129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).