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

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

2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 93167272) has the molecular formula C26H36N2O5S and a molecular weight of 488.65 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name	2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
PubChem CID	93167272
Molecular Formula	C26H36N2O5S
Molecular Weight	488.65 g/mol
Exact Mass	488.23
IUPAC Name	2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
SMILES	COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)COC
InChI	InChI=1S/C26H36N2O5S/c1-19(2)20-6-8-21(9-7-20)33-17-23-22-11-15-34-24(22)10-13-28(23)25(29)16-27(12-5-14-31-3)26(30)18-32-4/h6-9,11,15,19,23H,5,10,12-14,16-18H2,1-4H3/t23-/m0/s1
InChIKey	XQUFACZHXJHEJX-QHCPKHFHSA-N
XLogP	3.89
TPSA	68.31 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	12
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.65
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide (CID 93167272) is 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-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 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide?

The canonical SMILES for 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)COC.

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

The InChIKey is XQUFACZHXJHEJX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36N2O5S/c1-19(2)20-6-8-21(9-7-20)33-17-23-22-11-15-34-24(22)10-13-28(23)25(29)16-27(12-5-14-31-3)26(30)18-32-4/h6-9,11,15,19,23H,5,10,12-14,16-18H2,1-4H3/t23-/m0/s1.

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

2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 488.65 g/mol, XLogP of 3.89, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 93167272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).