2-(2-hydroxyethylsulfanyl)-N-phenylacetamide

C10H13NO2S — CID 3144768

IUPAC2-(2-hydroxyethylsulfanyl)-N-phenylacetamide
SMILESO=C(CSCCO)Nc1ccccc1
InChIInChI=1S/C10H13NO2S/c12-6-7-14-8-10(13)11-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
InChIKeyFCXLIUKQEPEUIE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide

2-(2-hydroxyethylsulfanyl)-N-phenylacetamide (PubChem CID 3144768) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-phenylacetamide
PubChem CID3144768
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-phenylacetamide
SMILESO=C(CSCCO)Nc1ccccc1
InChIInChI=1S/C10H13NO2S/c12-6-7-14-8-10(13)11-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13)
InChIKeyFCXLIUKQEPEUIE-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Carboxin
CID 21307
Carboxin sulfoxide
CID 28749
Thioglycolic acid anilide
CID 10382
2-Hydroxy-N-phenylacetamide
CID 264260
Nsc190763
CID 302991
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
CID 737675
2-(Vinylsulfonyl) acetanilide
CID 54452075
Hexanamide, 6-mercapto-N-phenyl-
CID 11436024
S-(4-acetamidophenyl) ethanethioate
CID 247471
Acetamide, N-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-
CID 33798
Carboxin M6
CID 11129280

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide (CID 3144768) is 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide is O=C(CSCCO)Nc1ccccc1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide?
The InChIKey is FCXLIUKQEPEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-6-7-14-8-10(13)11-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,11,13).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide?
2-(2-hydroxyethylsulfanyl)-N-phenylacetamide has a molecular weight of 211.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-phenylacetamide is sourced from PubChem (CID 3144768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).