N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide

C27H32N2O5S — CID 46010456

About N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide

N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide (PubChem CID 46010456) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
• PubChem CID: 46010456
• Molecular Formula: C27H32N2O5S
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.20
• IUPAC Name: N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
• SMILES: COCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1ccco1
• InChI: InChI=1S/C27H32N2O5S/c1-19(2)20-6-8-21(9-7-20)34-18-23-22-11-16-35-25(22)10-12-29(23)26(30)17-28(13-15-32-3)27(31)24-5-4-14-33-24/h4-9,11,14,16,19,23H,10,12-13,15,17-18H2,1-3H3
• InChIKey: BYMZSGCDHWLMPH-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide (CID 46010456) is N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide.

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

The canonical SMILES for N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide is COCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)c1ccco1.

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

The InChIKey is BYMZSGCDHWLMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-19(2)20-6-8-21(9-7-20)34-18-23-22-11-16-35-25(22)10-12-29(23)26(30)17-28(13-15-32-3)27(31)24-5-4-14-33-24/h4-9,11,14,16,19,23H,10,12-13,15,17-18H2,1-3H3.

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

N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 46010456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).