2-(oxan-4-ylsulfanyl)-2-phenylacetamide

C13H17NO2S — CID 75389696

IUPAC2-(oxan-4-ylsulfanyl)-2-phenylacetamide
SMILESNC(=O)C(SC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO2S/c14-13(15)12(10-4-2-1-3-5-10)17-11-6-8-16-9-7-11/h1-5,11-12H,6-9H2,(H2,14,15)
InChIKeyZRQJILRQEORXOQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.13
Rot. Bonds4

About 2-(oxan-4-ylsulfanyl)-2-phenylacetamide

2-(oxan-4-ylsulfanyl)-2-phenylacetamide (PubChem CID 75389696) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfanyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(oxan-4-ylsulfanyl)-2-phenylacetamide
PubChem CID75389696
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-(oxan-4-ylsulfanyl)-2-phenylacetamide
SMILESNC(=O)C(SC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO2S/c14-13(15)12(10-4-2-1-3-5-10)17-11-6-8-16-9-7-11/h1-5,11-12H,6-9H2,(H2,14,15)
InChIKeyZRQJILRQEORXOQ-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfanyl)-2-phenylacetamide?
The IUPAC name of 2-(oxan-4-ylsulfanyl)-2-phenylacetamide (CID 75389696) is 2-(oxan-4-ylsulfanyl)-2-phenylacetamide.
What is the SMILES notation for 2-(oxan-4-ylsulfanyl)-2-phenylacetamide?
The canonical SMILES for 2-(oxan-4-ylsulfanyl)-2-phenylacetamide is NC(=O)C(SC1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(oxan-4-ylsulfanyl)-2-phenylacetamide?
The InChIKey is ZRQJILRQEORXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c14-13(15)12(10-4-2-1-3-5-10)17-11-6-8-16-9-7-11/h1-5,11-12H,6-9H2,(H2,14,15).
What are the key properties of 2-(oxan-4-ylsulfanyl)-2-phenylacetamide?
2-(oxan-4-ylsulfanyl)-2-phenylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfanyl)-2-phenylacetamide is sourced from PubChem (CID 75389696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).