N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide

C12H17NO3S — CID 165354958

IUPACN-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCS(=O)CCO)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-11(15)13(7-9-17(16)10-8-14)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyBGZCBFBTBUMZBV-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide

N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide (PubChem CID 165354958) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide
PubChem CID165354958
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCS(=O)CCO)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-11(15)13(7-9-17(16)10-8-14)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3
InChIKeyBGZCBFBTBUMZBV-UHFFFAOYSA-N
XLogP0.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-hexyl-N-phenylacetamide
CID 13217997
N-(bromomethyl)-N-phenylacetamide
CID 67904201
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-(2-cyclopentylethyl)-N-phenylacetamide
CID 57298515
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
CID 113057161
methyl 6-(N-acetylanilino)hexanoate
CID 14219907
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
hydroxymethyl(phenyl)carbamic acid
CID 69165687
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide?
The IUPAC name of N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide (CID 165354958) is N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide?
The canonical SMILES for N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide is CC(=O)N(CCS(=O)CCO)c1ccccc1.
What is the InChIKey of N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide?
The InChIKey is BGZCBFBTBUMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-11(15)13(7-9-17(16)10-8-14)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3.
What are the key properties of N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide?
N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethylsulfinyl)ethyl]-N-phenylacetamide is sourced from PubChem (CID 165354958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).