N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

C26H36N2O3S — CID 3649114

About N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide

N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (PubChem CID 3649114) has the molecular formula C26H36N2O3S and a molecular weight of 456.65 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

Molecular Properties

• Compound Name: N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
• PubChem CID: 3649114
• Molecular Formula: C26H36N2O3S
• Molecular Weight: 456.65 g/mol
• Exact Mass: 456.24
• IUPAC Name: N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
• SMILES: CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(C)(C)C
• InChI: InChI=1S/C26H36N2O3S/c1-6-31-16-7-14-27(25(30)26(3,4)5)18-23(29)28-15-12-22-21(13-17-32-22)24(28)20-10-8-19(2)9-11-20/h8-11,13,17,24H,6-7,12,14-16,18H2,1-5H3
• InChIKey: CFRBPQLPTUQJPW-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.65
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?

The IUPAC name of N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (CID 3649114) is N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

What is the SMILES notation for N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?

The canonical SMILES for N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)C(C)(C)C.

What is the InChIKey of N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?

The InChIKey is CFRBPQLPTUQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3S/c1-6-31-16-7-14-27(25(30)26(3,4)5)18-23(29)28-15-12-22-21(13-17-32-22)24(28)20-10-8-19(2)9-11-20/h8-11,13,17,24H,6-7,12,14-16,18H2,1-5H3.

What are the key properties of N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?

N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide has a molecular weight of 456.65 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-ethoxypropyl)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 3649114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).