ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate

C24H27NO7S — CID 2394792

About ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 2394792) has the molecular formula C24H27NO7S and a molecular weight of 473.55 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
• PubChem CID: 2394792
• Molecular Formula: C24H27NO7S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.15
• IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
• SMILES: CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2
• InChI: InChI=1S/C24H27NO7S/c1-4-29-23(28)20-16(14-8-9-14)13-33-22(20)25-18(26)11-31-19(27)12-30-17-7-5-6-15-10-24(2,3)32-21(15)17/h5-7,13-14H,4,8-12H2,1-3H3,(H,25,26)
• InChIKey: XOQWPEAHPXWKKV-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 100.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?

The IUPAC name of ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate (CID 2394792) is ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate.

What is the SMILES notation for ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?

The canonical SMILES for ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)COc1cccc2c1OC(C)(C)C2.

What is the InChIKey of ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?

The InChIKey is XOQWPEAHPXWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO7S/c1-4-29-23(28)20-16(14-8-9-14)13-33-22(20)25-18(26)11-31-19(27)12-30-17-7-5-6-15-10-24(2,3)32-21(15)17/h5-7,13-14H,4,8-12H2,1-3H3,(H,25,26).

What are the key properties of ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate?

ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-cyclopropyl-2-[[2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2394792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).