5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane

C32H44N2O2S — CID 178174423

About 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane

5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane (PubChem CID 178174423) has the molecular formula C32H44N2O2S and a molecular weight of 520.78 g/mol. Its IUPAC name is 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane.

Molecular Properties

• Compound Name: 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane
• PubChem CID: 178174423
• Molecular Formula: C32H44N2O2S
• Molecular Weight: 520.78 g/mol
• Exact Mass: 520.31
• IUPAC Name: 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane
• SMILES: CC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc(-c3ccc(CC(C)C)s3)c2)c1.CCCCCC
• InChI: InChI=1S/C26H30N2O2S.C6H14/c1-16(2)13-23-11-12-25(31-23)21-8-6-7-20(14-21)18(4)27-26(30)24-15-22(28-19(5)29)10-9-17(24)3;1-3-5-6-4-2/h6-12,14-16,18H,13H2,1-5H3,(H,27,30)(H,28,29);3-6H2,1-2H3
• InChIKey: QRCOVMUJMQQMNA-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.78
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	2
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 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane?

The IUPAC name of 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane (CID 178174423) is 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane.

What is the SMILES notation for 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane?

The canonical SMILES for 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane is CC(=O)Nc1ccc(C)c(C(=O)NC(C)c2cccc(-c3ccc(CC(C)C)s3)c2)c1.CCCCCC.

What is the InChIKey of 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane?

The InChIKey is QRCOVMUJMQQMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2S.C6H14/c1-16(2)13-23-11-12-25(31-23)21-8-6-7-20(14-21)18(4)27-26(30)24-15-22(28-19(5)29)10-9-17(24)3;1-3-5-6-4-2/h6-12,14-16,18H,13H2,1-5H3,(H,27,30)(H,28,29);3-6H2,1-2H3.

What are the key properties of 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane?

5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane has a molecular weight of 520.78 g/mol, XLogP of 8.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetamido-2-methyl-N-[1-[3-[5-(2-methylpropyl)thiophen-2-yl]phenyl]ethyl]benzamide;hexane is sourced from PubChem (CID 178174423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).