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

C17H19NO3S — CID 8551532

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccs3)c2O1
InChIInChI=1S/C17H19NO3S/c1-17(2)9-12-5-3-7-14(16(12)21-17)20-11-15(19)18-10-13-6-4-8-22-13/h3-8H,9-11H2,1-2H3,(H,18,19)
InChIKeyUDWARHBFMVZVCR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.16
Rot. Bonds5

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8551532) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8551532
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCc3cccs3)c2O1
InChIInChI=1S/C17H19NO3S/c1-17(2)9-12-5-3-7-14(16(12)21-17)20-11-15(19)18-10-13-6-4-8-22-13/h3-8H,9-11H2,1-2H3,(H,18,19)
InChIKeyUDWARHBFMVZVCR-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide (CID 8551532) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide is CC1(C)Cc2cccc(OCC(=O)NCc3cccs3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is UDWARHBFMVZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-17(2)9-12-5-3-7-14(16(12)21-17)20-11-15(19)18-10-13-6-4-8-22-13/h3-8H,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8551532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).