2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide

C16H17NO2S2 — CID 129411313

IUPAC2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCSc1ccc(-c2ccccc2C[S@](=O)CC(N)=O)cc1
InChIInChI=1S/C16H17NO2S2/c1-20-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)/t21-/m0/s1
InChIKeyQOLMUHHRIQHNCE-NRFANRHFSA-N
MW319.45 g/mol
LogP2.81
Rot. Bonds6

About 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide

2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide (PubChem CID 129411313) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
PubChem CID129411313
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC Name2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
SMILESCSc1ccc(-c2ccccc2C[S@](=O)CC(N)=O)cc1
InChIInChI=1S/C16H17NO2S2/c1-20-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)/t21-/m0/s1
InChIKeyQOLMUHHRIQHNCE-NRFANRHFSA-N
XLogP2.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide (CID 129411313) is 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide is CSc1ccc(-c2ccccc2C[S@](=O)CC(N)=O)cc1.
What is the InChIKey of 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is QOLMUHHRIQHNCE-NRFANRHFSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-20-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-21(19)11-16(17)18/h2-9H,10-11H2,1H3,(H2,17,18)/t21-/m0/s1.
What are the key properties of 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide?
2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 129411313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).