N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C25H28N2O5S — CID 3284191

About N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 3284191) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
• PubChem CID: 3284191
• Molecular Formula: C25H28N2O5S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.17
• IUPAC Name: N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
• SMILES: COc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CCC2
• InChI: InChI=1S/C25H28N2O5S/c1-29-18-10-6-5-9-17(18)27-24(28)21-16-8-7-11-20(16)33-25(21)26-14-15-12-13-19(30-2)23(32-4)22(15)31-3/h5-6,9-10,12-13,26H,7-8,11,14H2,1-4H3,(H,27,28)
• InChIKey: XRLKUEJMYRHOTE-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 78.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_H(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 3284191) is N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is COc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CCC2.

What is the InChIKey of N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

The InChIKey is XRLKUEJMYRHOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-29-18-10-6-5-9-17(18)27-24(28)21-16-8-7-11-20(16)33-25(21)26-14-15-12-13-19(30-2)23(32-4)22(15)31-3/h5-6,9-10,12-13,26H,7-8,11,14H2,1-4H3,(H,27,28).

What are the key properties of N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?

N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 3284191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).