N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide

C25H28N2O6S — CID 93167904

About N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide

N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 93167904) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 93167904
• Molecular Formula: C25H28N2O6S
• Molecular Weight: 484.57 g/mol
• Exact Mass: 484.17
• IUPAC Name: N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccco1
• InChI: InChI=1S/C25H28N2O6S/c1-30-14-12-26(25(29)22-8-5-13-32-22)16-24(28)27-11-9-23-18(10-15-34-23)19(27)17-33-21-7-4-3-6-20(21)31-2/h3-8,10,13,15,19H,9,11-12,14,16-17H2,1-2H3/t19-/m0/s1
• InChIKey: AOYGNWYBOCHRIL-IBGZPJMESA-N
• XLogP: 3.64
• TPSA: 81.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.57
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide (CID 93167904) is N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide is COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C(=O)c1ccco1.

What is the InChIKey of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is AOYGNWYBOCHRIL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-30-14-12-26(25(29)22-8-5-13-32-22)16-24(28)27-11-9-23-18(10-15-34-23)19(27)17-33-21-7-4-3-6-20(21)31-2/h3-8,10,13,15,19H,9,11-12,14,16-17H2,1-2H3/t19-/m0/s1.

What are the key properties of N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide?

N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 484.57 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-[(4R)-4-[(2-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 93167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).