2-benzhydrylsulfinylacetamide

C15H15NO2S — CID 4236

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IUPAC2-benzhydrylsulfinylacetamide
SMILESNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeyYFGHCGITMMYXAQ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.01
Rot. Bonds5

About 2-benzhydrylsulfinylacetamide

2-benzhydrylsulfinylacetamide (PubChem CID 4236) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-benzhydrylsulfinylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfinylacetamide
PubChem CID4236
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-benzhydrylsulfinylacetamide
SMILESNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKeyYFGHCGITMMYXAQ-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Armodafinil
CID 9690109
Adrafinil
CID 3033226
Acetamide, 2-(benzylthio)-
CID 95209
Modafinil acid
CID 3085267
Modafinil, (S)-
CID 11173366
Deoxy modafinil
CID 9965017
Modafinil Sulfone
CID 6460146
(-)-2-[2-(4-Chlorophenyl)benzyl]sulphinylacetamide
CID 11855008
(+/-)-2-(Bis(4-chlorophenyl)methylsulfinyl)acetamide
CID 53322734
(+/-)-2-(Bis(4-bromophenyl)methylsulfinyl)acetamide
CID 53326639
2-((Bis(3-chlorophenyl)methyl)sulfinyl)acetamide
CID 76329087
2-(((3-Bromophenyl)(phenyl)methyl)sulfinyl)acetamide
CID 76336375

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinylacetamide?
The IUPAC name of 2-benzhydrylsulfinylacetamide (CID 4236) is 2-benzhydrylsulfinylacetamide.
What is the SMILES notation for 2-benzhydrylsulfinylacetamide?
The canonical SMILES for 2-benzhydrylsulfinylacetamide is NC(=O)CS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinylacetamide?
The InChIKey is YFGHCGITMMYXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17).
What are the key properties of 2-benzhydrylsulfinylacetamide?
2-benzhydrylsulfinylacetamide has a molecular weight of 273.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinylacetamide is sourced from PubChem (CID 4236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).