[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C19H19NO5S — CID 7550910

About [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7550910) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• PubChem CID: 7550910
• Molecular Formula: C19H19NO5S
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.10
• IUPAC Name: [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• SMILES: COCc1c(C(=O)OCC(=O)N[C@@H](C)c2cccs2)oc2ccccc12
• InChI: InChI=1S/C19H19NO5S/c1-12(16-8-5-9-26-16)20-17(21)11-24-19(22)18-14(10-23-2)13-6-3-4-7-15(13)25-18/h3-9,12H,10-11H2,1-2H3,(H,20,21)/t12-/m0/s1
• InChIKey: QOXJHLLADURUNE-LBPRGKRZSA-N
• XLogP: 3.67
• TPSA: 77.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7550910) is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCC(=O)N[C@@H](C)c2cccs2)oc2ccccc12.

What is the InChIKey of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The InChIKey is QOXJHLLADURUNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-12(16-8-5-9-26-16)20-17(21)11-24-19(22)18-14(10-23-2)13-6-3-4-7-15(13)25-18/h3-9,12H,10-11H2,1-2H3,(H,20,21)/t12-/m0/s1.

What are the key properties of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7550910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).