2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide

C₁₆H₂₅ClN₂O₃S — CID 113068320

About 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide (PubChem CID 113068320) has the molecular formula C₁₆H₂₅ClN₂O₃S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
• PubChem CID: 113068320
• Molecular Formula: C₁₆H₂₅ClN₂O₃S
• Molecular Weight: 360.91 g/mol
• Exact Mass: 360.13
• IUPAC Name: 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
• SMILES: CCCCCN(CCNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O
• InChI: InChI=1S/C16H25ClN2O3S/c1-3-4-5-11-19(23(2,21)22)12-10-18-16(20)13-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
• InChIKey: QEOHOSXGCCRQDG-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.91
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
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 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide (CID 113068320) is 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide is CCCCCN(CCNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O.

What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?

The InChIKey is QEOHOSXGCCRQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-3-4-5-11-19(23(2,21)22)12-10-18-16(20)13-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20).

What are the key properties of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?

2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide has a molecular weight of 360.91 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide is sourced from PubChem (CID 113068320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113068320 — identifiers, structure, computed properties (public domain)

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