N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide

C30H38N2O3S — CID 5021949

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide (PubChem CID 5021949) has the molecular formula C30H38N2O3S and a molecular weight of 506.71 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
• PubChem CID: 5021949
• Molecular Formula: C30H38N2O3S
• Molecular Weight: 506.71 g/mol
• Exact Mass: 506.26
• IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
• SMILES: CCCCCCc1ccc(C(=O)N(CCOC)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1
• InChI: InChI=1S/C30H38N2O3S/c1-3-4-5-7-11-25-15-17-27(18-16-25)30(34)31(19-20-35-2)24-29(33)32(23-28-14-10-21-36-28)22-26-12-8-6-9-13-26/h6,8-10,12-18,21H,3-5,7,11,19-20,22-24H2,1-2H3
• InChIKey: JXABQFDLZMGCDW-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.71
LogP ≤ 5	6.19
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-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide?

The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide (CID 5021949) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide?

The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide is CCCCCCc1ccc(C(=O)N(CCOC)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1.

What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide?

The InChIKey is JXABQFDLZMGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3S/c1-3-4-5-7-11-25-15-17-27(18-16-25)30(34)31(19-20-35-2)24-29(33)32(23-28-14-10-21-36-28)22-26-12-8-6-9-13-26/h6,8-10,12-18,21H,3-5,7,11,19-20,22-24H2,1-2H3.

What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide?

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide has a molecular weight of 506.71 g/mol, XLogP of 6.19, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 5021949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).