2-benzhydrylsulfinyl-N-methylacetamide

C16H17NO2S — CID 13269477

IUPAC2-benzhydrylsulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyUSDHVNQXFRZMAP-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.27
Rot. Bonds5

About 2-benzhydrylsulfinyl-N-methylacetamide

2-benzhydrylsulfinyl-N-methylacetamide (PubChem CID 13269477) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N-methylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N-methylacetamide
PubChem CID13269477
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-benzhydrylsulfinyl-N-methylacetamide
SMILESCNC(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)
InChIKeyUSDHVNQXFRZMAP-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N-methylacetamide?
The IUPAC name of 2-benzhydrylsulfinyl-N-methylacetamide (CID 13269477) is 2-benzhydrylsulfinyl-N-methylacetamide.
What is the SMILES notation for 2-benzhydrylsulfinyl-N-methylacetamide?
The canonical SMILES for 2-benzhydrylsulfinyl-N-methylacetamide is CNC(=O)CS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinyl-N-methylacetamide?
The InChIKey is USDHVNQXFRZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-17-15(18)12-20(19)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18).
What are the key properties of 2-benzhydrylsulfinyl-N-methylacetamide?
2-benzhydrylsulfinyl-N-methylacetamide has a molecular weight of 287.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N-methylacetamide is sourced from PubChem (CID 13269477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).