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

C24H24N2O5S — CID 43950209

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

ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 43950209) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
• PubChem CID: 43950209
• Molecular Formula: C24H24N2O5S
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.14
• IUPAC Name: ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCN(C(C)=O)C2
• InChI: InChI=1S/C24H24N2O5S/c1-3-30-24(29)22-19-10-11-26(15(2)27)13-20(19)32-23(22)25-21(28)14-31-18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,25,28)
• InChIKey: VCCXJAKRYMNVTQ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 43950209) is ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCN(C(C)=O)C2.

What is the InChIKey of ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The InChIKey is VCCXJAKRYMNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-3-30-24(29)22-19-10-11-26(15(2)27)13-20(19)32-23(22)25-21(28)14-31-18-9-8-16-6-4-5-7-17(16)12-18/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,25,28).

What are the key properties of ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-acetyl-2-[(2-naphthalen-2-yloxyacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 43950209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).