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

C29H42N2O2S — CID 3269836

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

N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide (PubChem CID 3269836) has the molecular formula C29H42N2O2S and a molecular weight of 482.73 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide.

Molecular Properties

• Compound Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide
• PubChem CID: 3269836
• Molecular Formula: C29H42N2O2S
• Molecular Weight: 482.73 g/mol
• Exact Mass: 482.30
• IUPAC Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide
• SMILES: CCCCCCCCCC(=O)N(CC(=O)N1CCc2sccc2C1c1ccccc1C)C(C)C
• InChI: InChI=1S/C29H42N2O2S/c1-5-6-7-8-9-10-11-16-27(32)31(22(2)3)21-28(33)30-19-17-26-25(18-20-34-26)29(30)24-15-13-12-14-23(24)4/h12-15,18,20,22,29H,5-11,16-17,19,21H2,1-4H3
• InChIKey: HUAFSJROLFOYRY-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.73
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide (CID 3269836) is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide.

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

The canonical SMILES for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide is CCCCCCCCCC(=O)N(CC(=O)N1CCc2sccc2C1c1ccccc1C)C(C)C.

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

The InChIKey is HUAFSJROLFOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O2S/c1-5-6-7-8-9-10-11-16-27(32)31(22(2)3)21-28(33)30-19-17-26-25(18-20-34-26)29(30)24-15-13-12-14-23(24)4/h12-15,18,20,22,29H,5-11,16-17,19,21H2,1-4H3.

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

N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide has a molecular weight of 482.73 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide is sourced from PubChem (CID 3269836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).