2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide

C17H17NO3S — CID 11702427

IUPAC2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCC(=O)c1ccc(-c2ccccc2CS(=O)CC(N)=O)cc1
InChIInChI=1S/C17H17NO3S/c1-12(19)13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-22(21)11-17(18)20/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyZFOAXQTVAXNTAM-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.29
Rot. Bonds6

About 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide

2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 11702427) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide
PubChem CID11702427
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCC(=O)c1ccc(-c2ccccc2CS(=O)CC(N)=O)cc1
InChIInChI=1S/C17H17NO3S/c1-12(19)13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-22(21)11-17(18)20/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyZFOAXQTVAXNTAM-UHFFFAOYSA-N
XLogP2.29
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide (CID 11702427) is 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide is CC(=O)c1ccc(-c2ccccc2CS(=O)CC(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is ZFOAXQTVAXNTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(19)13-6-8-14(9-7-13)16-5-3-2-4-15(16)10-22(21)11-17(18)20/h2-9H,10-11H2,1H3,(H2,18,20).
What are the key properties of 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide?
2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 11702427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).