[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

C22H23N3O5S2 — CID 31766267

About [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 31766267) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

• Compound Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
• PubChem CID: 31766267
• Molecular Formula: C22H23N3O5S2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.11
• IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
• SMILES: CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)c1cccc(OCc2cscn2)c1
• InChI: InChI=1S/C22H23N3O5S2/c1-2-25(11-20(26)23-10-19-7-4-8-32-19)21(27)13-30-22(28)16-5-3-6-18(9-16)29-12-17-14-31-15-24-17/h3-9,14-15H,2,10-13H2,1H3,(H,23,26)
• InChIKey: UURVZMZRYAGICZ-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?

The IUPAC name of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate (CID 31766267) is [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate.

What is the SMILES notation for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?

The canonical SMILES for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate is CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)c1cccc(OCc2cscn2)c1.

What is the InChIKey of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?

The InChIKey is UURVZMZRYAGICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-2-25(11-20(26)23-10-19-7-4-8-32-19)21(27)13-30-22(28)16-5-3-6-18(9-16)29-12-17-14-31-15-24-17/h3-9,14-15H,2,10-13H2,1H3,(H,23,26).

What are the key properties of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate?

[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 473.58 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 31766267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).