2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide

C29H28N4O4S — CID 11642233

About 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide

2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide (PubChem CID 11642233) has the molecular formula C29H28N4O4S and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
• PubChem CID: 11642233
• Molecular Formula: C29H28N4O4S
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.18
• IUPAC Name: 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
• SMILES: NCCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
• InChI: InChI=1S/C29H28N4O4S/c30-10-11-31-17-25(35)32-22-9-8-19(29-27(22)21-4-1-2-7-24(21)38-29)18-5-3-6-20-23(34)16-26(37-28(18)20)33-12-14-36-15-13-33/h1-9,16,31H,10-15,17,30H2,(H,32,35)
• InChIKey: CCFQFLQMVFLSFU-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 109.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?

The IUPAC name of 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide (CID 11642233) is 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide.

What is the SMILES notation for 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?

The canonical SMILES for 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide is NCCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12.

What is the InChIKey of 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?

The InChIKey is CCFQFLQMVFLSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4S/c30-10-11-31-17-25(35)32-22-9-8-19(29-27(22)21-4-1-2-7-24(21)38-29)18-5-3-6-20-23(34)16-26(37-28(18)20)33-12-14-36-15-13-33/h1-9,16,31H,10-15,17,30H2,(H,32,35).

What are the key properties of 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?

2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide has a molecular weight of 528.63 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide is sourced from PubChem (CID 11642233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).