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

C26H36N2O4S — CID 46010607

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

N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 46010607) has the molecular formula C26H36N2O4S and a molecular weight of 472.65 g/mol. Its IUPAC name is N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
• PubChem CID: 46010607
• Molecular Formula: C26H36N2O4S
• Molecular Weight: 472.65 g/mol
• Exact Mass: 472.24
• IUPAC Name: N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
• SMILES: COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(C(C)C)cc1)C(C)(C)C
• InChI: InChI=1S/C26H36N2O4S/c1-18(2)19-7-9-20(10-8-19)32-16-22-21-12-14-33-23(21)11-13-27(22)24(29)15-28(26(3,4)5)25(30)17-31-6/h7-10,12,14,18,22H,11,13,15-17H2,1-6H3
• InChIKey: ZTPHWPXZUMIPMC-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.65
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (CID 46010607) is N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

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

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

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

The InChIKey is ZTPHWPXZUMIPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4S/c1-18(2)19-7-9-20(10-8-19)32-16-22-21-12-14-33-23(21)11-13-27(22)24(29)15-28(26(3,4)5)25(30)17-31-6/h7-10,12,14,18,22H,11,13,15-17H2,1-6H3.

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

N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 472.65 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-methoxy-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 46010607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).