ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C26H26N2O5S — CID 2814029

IUPACethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C26H26N2O5S/c1-3-33-26(31)28-14-13-20-21(16-28)34-25(27-22(29)15-17-7-5-4-6-8-17)23(20)24(30)18-9-11-19(32-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,27,29)
InChIKeyIWBBPLDKFZKGCZ-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.68
Rot. Bonds7

About ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 2814029) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID2814029
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Nameethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C26H26N2O5S/c1-3-33-26(31)28-14-13-20-21(16-28)34-25(27-22(29)15-17-7-5-4-6-8-17)23(20)24(30)18-9-11-19(32-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,27,29)
InChIKeyIWBBPLDKFZKGCZ-UHFFFAOYSA-N
XLogP4.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 2814029) is ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CCOC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is IWBBPLDKFZKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-3-33-26(31)28-14-13-20-21(16-28)34-25(27-22(29)15-17-7-5-4-6-8-17)23(20)24(30)18-9-11-19(32-2)12-10-18/h4-12H,3,13-16H2,1-2H3,(H,27,29).
What are the key properties of ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxybenzoyl)-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 2814029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).