2-(4-butylsulfanylphenyl)-N-hydroxyacetamide

C12H17NO2S — CID 16946

IUPAC2-(4-butylsulfanylphenyl)-N-hydroxyacetamide
SMILESCCCCSc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyPWCXFVBAQLRQEN-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide

2-(4-butylsulfanylphenyl)-N-hydroxyacetamide (PubChem CID 16946) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-butylsulfanylphenyl)-N-hydroxyacetamide
PubChem CID16946
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4-butylsulfanylphenyl)-N-hydroxyacetamide
SMILESCCCCSc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyPWCXFVBAQLRQEN-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide (CID 16946) is 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide is CCCCSc1ccc(CC(=O)NO)cc1.
What is the InChIKey of 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide?
The InChIKey is PWCXFVBAQLRQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14).
What are the key properties of 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide?
2-(4-butylsulfanylphenyl)-N-hydroxyacetamide has a molecular weight of 239.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfanylphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 16946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).