N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide

C₁₉H₂₉NO₄S — CID 39950494

About N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide

N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 39950494) has the molecular formula C₁₉H₂₉NO₄S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
• PubChem CID: 39950494
• Molecular Formula: C₁₉H₂₉NO₄S
• Molecular Weight: 367.51 g/mol
• Exact Mass: 367.18
• IUPAC Name: N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
• SMILES: CC(C)S(=O)(=O)c1ccccc1C(=O)NCCCOC1CCCCC1
• InChI: InChI=1S/C19H29NO4S/c1-15(2)25(22,23)18-12-7-6-11-17(18)19(21)20-13-8-14-24-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,20,21)
• InChIKey: LRKMEEOYINBLRX-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.51
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
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-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?

The IUPAC name of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide (CID 39950494) is N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide.

What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?

The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)NCCCOC1CCCCC1.

What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?

The InChIKey is LRKMEEOYINBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15(2)25(22,23)18-12-7-6-11-17(18)19(21)20-13-8-14-24-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,20,21).

What are the key properties of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?

N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 367.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 39950494 — identifiers, structure, computed properties (public domain)

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