2-benzhydrylsulfinyl-N,N-dimethylacetamide

C17H19NO2S — CID 53325625

IUPAC2-benzhydrylsulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(2)16(19)13-21(20)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyXUNMLWSOIMMAEQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.61
Rot. Bonds5

About 2-benzhydrylsulfinyl-N,N-dimethylacetamide

2-benzhydrylsulfinyl-N,N-dimethylacetamide (PubChem CID 53325625) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-benzhydrylsulfinyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-benzhydrylsulfinyl-N,N-dimethylacetamide
PubChem CID53325625
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-benzhydrylsulfinyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(2)16(19)13-21(20)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3
InChIKeyXUNMLWSOIMMAEQ-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinyl-N,N-dimethylacetamide?
The IUPAC name of 2-benzhydrylsulfinyl-N,N-dimethylacetamide (CID 53325625) is 2-benzhydrylsulfinyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-benzhydrylsulfinyl-N,N-dimethylacetamide?
The canonical SMILES for 2-benzhydrylsulfinyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinyl-N,N-dimethylacetamide?
The InChIKey is XUNMLWSOIMMAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(2)16(19)13-21(20)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3.
What are the key properties of 2-benzhydrylsulfinyl-N,N-dimethylacetamide?
2-benzhydrylsulfinyl-N,N-dimethylacetamide has a molecular weight of 301.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinyl-N,N-dimethylacetamide is sourced from PubChem (CID 53325625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).