N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide

C24H34N2O2S — CID 3581124

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide (PubChem CID 3581124) has the molecular formula C24H34N2O2S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
• PubChem CID: 3581124
• Molecular Formula: C24H34N2O2S
• Molecular Weight: 414.62 g/mol
• Exact Mass: 414.23
• IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
• SMILES: CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)CC(C)C
• InChI: InChI=1S/C24H34N2O2S/c1-4-5-7-14-23(27)25(16-20(2)3)19-24(28)26(18-22-13-10-15-29-22)17-21-11-8-6-9-12-21/h6,8-13,15,20H,4-5,7,14,16-19H2,1-3H3
• InChIKey: WVSVSAJKBCBCEV-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.62
LogP ≤ 5	5.34
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-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?

The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide (CID 3581124) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide.

What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?

The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide is CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)CC(C)C.

What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?

The InChIKey is WVSVSAJKBCBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2S/c1-4-5-7-14-23(27)25(16-20(2)3)19-24(28)26(18-22-13-10-15-29-22)17-21-11-8-6-9-12-21/h6,8-13,15,20H,4-5,7,14,16-19H2,1-3H3.

What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide?

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide has a molecular weight of 414.62 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 3581124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).