ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

C20H28N3O2S+ — CID 8906119

About ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium

ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (PubChem CID 8906119) has the molecular formula C20H28N3O2S+ and a molecular weight of 374.53 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.

Molecular Properties

• Compound Name: ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
• PubChem CID: 8906119
• Molecular Formula: C20H28N3O2S+
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.19
• IUPAC Name: ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
• SMILES: CC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(C)C
• InChI: InChI=1S/C20H27N3O2S/c1-4-23(13-19(24)21-12-16-8-7-11-26-16)14-20(25)22-18-10-6-5-9-17(18)15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
• InChIKey: UOTPTWGUZGGVJG-UHFFFAOYSA-O
• XLogP: 2.03
• TPSA: 62.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?

The IUPAC name of ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium (CID 8906119) is ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium.

What is the SMILES notation for ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?

The canonical SMILES for ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is CC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(C)C.

What is the InChIKey of ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?

The InChIKey is UOTPTWGUZGGVJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O2S/c1-4-23(13-19(24)21-12-16-8-7-11-26-16)14-20(25)22-18-10-6-5-9-17(18)15(2)3/h5-11,15H,4,12-14H2,1-3H3,(H,21,24)(H,22,25)/p+1.

What are the key properties of ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium?

ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium has a molecular weight of 374.53 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium is sourced from PubChem (CID 8906119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).