(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

C18H16O4S — CID 7617945

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)c3cccs3)coc2c1C
InChIInChI=1S/C18H16O4S/c1-11-5-6-14-13(9-22-18(14)12(11)2)8-17(20)21-10-15(19)16-4-3-7-23-16/h3-7,9H,8,10H2,1-2H3
InChIKeyDBBNPJPUGMXHCE-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.08
Rot. Bonds5

About (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate

(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (PubChem CID 7617945) has the molecular formula C18H16O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
PubChem CID7617945
Molecular FormulaC18H16O4S
Molecular Weight328.39 g/mol
Exact Mass328.08
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)c3cccs3)coc2c1C
InChIInChI=1S/C18H16O4S/c1-11-5-6-14-13(9-22-18(14)12(11)2)8-17(20)21-10-15(19)16-4-3-7-23-16/h3-7,9H,8,10H2,1-2H3
InChIKeyDBBNPJPUGMXHCE-UHFFFAOYSA-N
XLogP4.08
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617669
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617675
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617933
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617878
(2-methoxyphenyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8778381
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984095
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617679
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617651
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617689
(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 8984561
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 46806072

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate (CID 7617945) is (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCC(=O)c3cccs3)coc2c1C.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
The InChIKey is DBBNPJPUGMXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4S/c1-11-5-6-14-13(9-22-18(14)12(11)2)8-17(20)21-10-15(19)16-4-3-7-23-16/h3-7,9H,8,10H2,1-2H3.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate has a molecular weight of 328.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 7617945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).