2-benzhydrylsulfinyl-N-hydroxyacetamide

C15H15NO3S — CID 3033226

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IUPAC2-benzhydrylsulfinyl-N-hydroxyacetamide
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
InChIKeyCGNMLOKEMNBUAI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.03
Rot. Bonds5

About 2-benzhydrylsulfinyl-N-hydroxyacetamide

2-benzhydrylsulfinyl-N-hydroxyacetamide (PubChem CID 3033226) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N-hydroxyacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N-hydroxyacetamide
PubChem CID3033226
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-benzhydrylsulfinyl-N-hydroxyacetamide
SMILESO=C(CS(=O)C(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)
InChIKeyCGNMLOKEMNBUAI-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
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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Related Compounds

Modafinil
CID 4236
Armodafinil
CID 9690109
Modafinil, (S)-
CID 11173366
Modafinil Sulfone
CID 6460146
2-((Bis(4-fluorophenyl)methyl)sulfinyl)acetamide
CID 13271852
Acetamide, 2-(benzylthio)-
CID 95209
Deoxy modafinil
CID 9965017
3-Benzenesulfonyl-N-hydroxy-3-phenyl-propionamide
CID 10756964
N-hydroxy-2-(4-phenylphenyl)sulfonylacetamide
CID 168276813
2-(Bis(4-Fluorophenyl)Methylthio)Acetamide
CID 13271848
2-((Bis(3-fluorophenyl)methyl)sulfinyl)acetamide
CID 14054412
2-[(R)-bis(4-fluorophenyl)methylsulfinyl]acetamide
CID 124484179

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N-hydroxyacetamide?
The IUPAC name of 2-benzhydrylsulfinyl-N-hydroxyacetamide (CID 3033226) is 2-benzhydrylsulfinyl-N-hydroxyacetamide.
What is the SMILES notation for 2-benzhydrylsulfinyl-N-hydroxyacetamide?
The canonical SMILES for 2-benzhydrylsulfinyl-N-hydroxyacetamide is O=C(CS(=O)C(c1ccccc1)c1ccccc1)NO.
What is the InChIKey of 2-benzhydrylsulfinyl-N-hydroxyacetamide?
The InChIKey is CGNMLOKEMNBUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17).
What are the key properties of 2-benzhydrylsulfinyl-N-hydroxyacetamide?
2-benzhydrylsulfinyl-N-hydroxyacetamide has a molecular weight of 289.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N-hydroxyacetamide is sourced from PubChem (CID 3033226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).