ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium

C18H26N3O2S+ — CID 7988270

About ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium

ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium (PubChem CID 7988270) has the molecular formula C18H26N3O2S+ and a molecular weight of 348.49 g/mol. Its IUPAC name is ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium.

Molecular Properties

• Compound Name: ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium
• PubChem CID: 7988270
• Molecular Formula: C18H26N3O2S+
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.17
• IUPAC Name: ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium
• SMILES: CC[NH+](CC(=O)NCc1cccs1)CC(=O)c1cc(C)n(C)c1C
• InChI: InChI=1S/C18H25N3O2S/c1-5-21(12-18(23)19-10-15-7-6-8-24-15)11-17(22)16-9-13(2)20(4)14(16)3/h6-9H,5,10-12H2,1-4H3,(H,19,23)/p+1
• InChIKey: LWMNGVFNBLVNBD-UHFFFAOYSA-O
• XLogP: 1.11
• TPSA: 55.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium?

The IUPAC name of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium (CID 7988270) is ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium.

What is the SMILES notation for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium?

The canonical SMILES for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium is CC[NH+](CC(=O)NCc1cccs1)CC(=O)c1cc(C)n(C)c1C.

What is the InChIKey of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium?

The InChIKey is LWMNGVFNBLVNBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25N3O2S/c1-5-21(12-18(23)19-10-15-7-6-8-24-15)11-17(22)16-9-13(2)20(4)14(16)3/h6-9H,5,10-12H2,1-4H3,(H,19,23)/p+1.

What are the key properties of ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium?

ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium has a molecular weight of 348.49 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]azanium is sourced from PubChem (CID 7988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).