1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide

C23H35IN4O3S — CID 111503228

About 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide

1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111503228) has the molecular formula C23H35IN4O3S and a molecular weight of 574.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
• PubChem CID: 111503228
• Molecular Formula: C23H35IN4O3S
• Molecular Weight: 574.53 g/mol
• Exact Mass: 574.15
• IUPAC Name: 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCC(C)Oc1ccccc1OC.I
• InChI: InChI=1S/C23H34N4O3S.HI/c1-4-24-23(25-16-18(2)30-21-9-6-5-8-20(21)28-3)26-17-19(22-10-7-15-31-22)27-11-13-29-14-12-27;/h5-10,15,18-19H,4,11-14,16-17H2,1-3H3,(H2,24,25,26);1H
• InChIKey: CHJOKPYUJYRVQJ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 67.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.53
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide?

The IUPAC name of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111503228) is 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide.

What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide?

The canonical SMILES for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCC(C)Oc1ccccc1OC.I.

What is the InChIKey of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide?

The InChIKey is CHJOKPYUJYRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3S.HI/c1-4-24-23(25-16-18(2)30-21-9-6-5-8-20(21)28-3)26-17-19(22-10-7-15-31-22)27-11-13-29-14-12-27;/h5-10,15,18-19H,4,11-14,16-17H2,1-3H3,(H2,24,25,26);1H.

What are the key properties of 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide?

1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 574.53 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).