2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide

C11H15NO2S — CID 154749389

IUPAC2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide
SMILESCC(CO)SC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-8(7-13)15-10(11(12)14)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3,(H2,12,14)
InChIKeyAWTJIFQLHXADLY-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.33
Rot. Bonds5

About 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide

2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide (PubChem CID 154749389) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide
PubChem CID154749389
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide
SMILESCC(CO)SC(C(N)=O)c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-8(7-13)15-10(11(12)14)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3,(H2,12,14)
InChIKeyAWTJIFQLHXADLY-UHFFFAOYSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide (CID 154749389) is 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide is CC(CO)SC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide?
The InChIKey is AWTJIFQLHXADLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(7-13)15-10(11(12)14)9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3,(H2,12,14).
What are the key properties of 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide?
2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylsulfanyl)-2-phenylacetamide is sourced from PubChem (CID 154749389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).