2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide

C13H19NO2S — CID 27377

IUPAC2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide
SMILESCCCCSc1ccc(CC(=O)NO)cc1C
InChIInChI=1S/C13H19NO2S/c1-3-4-7-17-12-6-5-11(8-10(12)2)9-13(15)14-16/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeySWZKVMOOTCVDGL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.94
Rot. Bonds6

About 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide

2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide (PubChem CID 27377) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide
PubChem CID27377
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide
SMILESCCCCSc1ccc(CC(=O)NO)cc1C
InChIInChI=1S/C13H19NO2S/c1-3-4-7-17-12-6-5-11(8-10(12)2)9-13(15)14-16/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,14,15)
InChIKeySWZKVMOOTCVDGL-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.94
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'}

Analyze 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide (CID 27377) is 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide is CCCCSc1ccc(CC(=O)NO)cc1C.
What is the InChIKey of 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide?
The InChIKey is SWZKVMOOTCVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-4-7-17-12-6-5-11(8-10(12)2)9-13(15)14-16/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide?
2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide has a molecular weight of 253.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylsulfanyl-3-methylphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 27377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).