N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C24H32N4O4S — CID 2922988

About N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 2922988) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
• PubChem CID: 2922988
• Molecular Formula: C24H32N4O4S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.21
• IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
• SMILES: CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CCC3)cc1
• InChI: InChI=1S/C24H32N4O4S/c1-2-32-18-8-6-17(7-9-18)26-23(30)22-19-4-3-5-20(19)33-24(22)27-21(29)16-25-10-11-28-12-14-31-15-13-28/h6-9,25H,2-5,10-16H2,1H3,(H,26,30)(H,27,29)
• InChIKey: ILWVBZVJGZUXOY-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 2922988) is N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3c2CCC3)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The InChIKey is ILWVBZVJGZUXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-2-32-18-8-6-17(7-9-18)26-23(30)22-19-4-3-5-20(19)33-24(22)27-21(29)16-25-10-11-28-12-14-31-15-13-28/h6-9,25H,2-5,10-16H2,1H3,(H,26,30)(H,27,29).

What are the key properties of N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[[2-(2-morpholin-4-ylethylamino)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 2922988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).