2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

C21H23N3O3S — CID 86266333

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccsc4)n3)c2O1
InChIInChI=1S/C21H23N3O3S/c1-21(2)12-15-4-3-5-18(20(15)27-21)26-13-19(25)22-8-10-24-9-6-17(23-24)16-7-11-28-14-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,25)
InChIKeyZVAZJTDECWCPFT-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.52
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 86266333) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID86266333
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccsc4)n3)c2O1
InChIInChI=1S/C21H23N3O3S/c1-21(2)12-15-4-3-5-18(20(15)27-21)26-13-19(25)22-8-10-24-9-6-17(23-24)16-7-11-28-14-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,25)
InChIKeyZVAZJTDECWCPFT-UHFFFAOYSA-N
XLogP3.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (CID 86266333) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccsc4)n3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is ZVAZJTDECWCPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-21(2)12-15-4-3-5-18(20(15)27-21)26-13-19(25)22-8-10-24-9-6-17(23-24)16-7-11-28-14-16/h3-7,9,11,14H,8,10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86266333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).