2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide

C13H16ClNO2S — CID 83202849

IUPAC2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NOC1CCCC1
InChIInChI=1S/C13H16ClNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyVFYXEITWKPRCOD-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide

2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide (PubChem CID 83202849) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide
PubChem CID83202849
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NOC1CCCC1
InChIInChI=1S/C13H16ClNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyVFYXEITWKPRCOD-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide (CID 83202849) is 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide is O=C(CSc1ccc(Cl)cc1)NOC1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide?
The InChIKey is VFYXEITWKPRCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c14-10-5-7-12(8-6-10)18-9-13(16)15-17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide?
2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide has a molecular weight of 285.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-cyclopentyloxyacetamide is sourced from PubChem (CID 83202849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).