ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium

C24H28N2O5PS+ — CID 67490617

About ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium

ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium (PubChem CID 67490617) has the molecular formula C24H28N2O5PS+ and a molecular weight of 487.54 g/mol. Its IUPAC name is ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium.

Molecular Properties

• Compound Name: ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium
• PubChem CID: 67490617
• Molecular Formula: C24H28N2O5PS+
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.15
• IUPAC Name: ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium
• SMILES: CCO[P+](=O)Cc1ccc(NC(=O)c2cc(OCCc3ccsc3)cc(OC(C)C)c2)nc1
• InChI: InChI=1S/C24H27N2O5PS/c1-4-30-32(28)15-19-5-6-23(25-14-19)26-24(27)20-11-21(13-22(12-20)31-17(2)3)29-9-7-18-8-10-33-16-18/h5-6,8,10-14,16-17H,4,7,9,15H2,1-3H3/p+1
• InChIKey: IYICZBHALSWEQM-UHFFFAOYSA-O
• XLogP: 6.08
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium?

The IUPAC name of ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium (CID 67490617) is ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium.

What is the SMILES notation for ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium?

The canonical SMILES for ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium is CCO[P+](=O)Cc1ccc(NC(=O)c2cc(OCCc3ccsc3)cc(OC(C)C)c2)nc1.

What is the InChIKey of ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium?

The InChIKey is IYICZBHALSWEQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27N2O5PS/c1-4-30-32(28)15-19-5-6-23(25-14-19)26-24(27)20-11-21(13-22(12-20)31-17(2)3)29-9-7-18-8-10-33-16-18/h5-6,8,10-14,16-17H,4,7,9,15H2,1-3H3/p+1.

What are the key properties of ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium?

ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium has a molecular weight of 487.54 g/mol, XLogP of 6.08, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxy-oxo-[[6-[[3-propan-2-yloxy-5-(2-thiophen-3-ylethoxy)benzoyl]amino]-3-pyridinyl]methyl]phosphanium is sourced from PubChem (CID 67490617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).