N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide

C17H19NO2S — CID 14156802

IUPACN-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
InChIKeyWARMFKFSFBIBIH-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.28
Rot. Bonds5

About N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide

N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide (PubChem CID 14156802) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide
PubChem CID14156802
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)c1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3
InChIKeyWARMFKFSFBIBIH-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide (CID 14156802) is N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide is CC(=O)N(O)C(C)c1ccc(SCc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide?
The InChIKey is WARMFKFSFBIBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13(18(20)14(2)19)16-8-10-17(11-9-16)21-12-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3.
What are the key properties of N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide?
N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide has a molecular weight of 301.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylsulfanylphenyl)ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 14156802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).