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

C26H36N2O4S — CID 46010458

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

N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (PubChem CID 46010458) has the molecular formula C26H36N2O4S and a molecular weight of 472.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
• PubChem CID: 46010458
• Molecular Formula: C26H36N2O4S
• Molecular Weight: 472.65 g/mol
• Exact Mass: 472.24
• IUPAC Name: N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
• SMILES: COCCN(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(=O)C(C)C
• InChI: InChI=1S/C26H36N2O4S/c1-18(2)20-6-8-21(9-7-20)32-17-23-22-11-15-33-24(22)10-12-28(23)25(29)16-27(13-14-31-5)26(30)19(3)4/h6-9,11,15,18-19,23H,10,12-14,16-17H2,1-5H3
• InChIKey: JZTKNDGSEVTLBP-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.65
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (CID 46010458) is N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

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

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

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

The InChIKey is JZTKNDGSEVTLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4S/c1-18(2)20-6-8-21(9-7-20)32-17-23-22-11-15-33-24(22)10-12-28(23)25(29)16-27(13-14-31-5)26(30)19(3)4/h6-9,11,15,18-19,23H,10,12-14,16-17H2,1-5H3.

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

N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide has a molecular weight of 472.65 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-methyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is sourced from PubChem (CID 46010458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).