(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide

C17H25NO3S — CID 124627615

IUPAC(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)C1CCOCC1
InChIInChI=1S/C17H25NO3S/c1-3-18(4-2)17(19)16(14-8-6-5-7-9-14)22(20)15-10-12-21-13-11-15/h5-9,15-16H,3-4,10-13H2,1-2H3/t16-,22+/m0/s1
InChIKeyYBOHRQKZTLWXKH-KSFYIVLOSA-N
MW323.46 g/mol
LogP2.52
Rot. Bonds6

About (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide

(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide (PubChem CID 124627615) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide
PubChem CID124627615
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)C1CCOCC1
InChIInChI=1S/C17H25NO3S/c1-3-18(4-2)17(19)16(14-8-6-5-7-9-14)22(20)15-10-12-21-13-11-15/h5-9,15-16H,3-4,10-13H2,1-2H3/t16-,22+/m0/s1
InChIKeyYBOHRQKZTLWXKH-KSFYIVLOSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide?
The IUPAC name of (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide (CID 124627615) is (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide is CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)C1CCOCC1.
What is the InChIKey of (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide?
The InChIKey is YBOHRQKZTLWXKH-KSFYIVLOSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-18(4-2)17(19)16(14-8-6-5-7-9-14)22(20)15-10-12-21-13-11-15/h5-9,15-16H,3-4,10-13H2,1-2H3/t16-,22+/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide?
(2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide has a molecular weight of 323.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-[(R)-oxan-4-ylsulfinyl]-2-phenylacetamide is sourced from PubChem (CID 124627615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).