N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide

C14H20FNO2S — CID 65112402

IUPACN-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyPHODKIAUKPRQTF-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.59
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 65112402) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID65112402
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCC(O)(CC)CNC(=O)CSc1ccccc1F
InChIInChI=1S/C14H20FNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyPHODKIAUKPRQTF-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66172991
2-(4-chlorophenyl)sulfanyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113544
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914295
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80538451
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
N-(2-ethyl-2-hydroxybutyl)-3-phenylpentanamide
CID 111483351
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide (CID 65112402) is N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide is CCC(O)(CC)CNC(=O)CSc1ccccc1F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is PHODKIAUKPRQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-3-14(18,4-2)10-16-13(17)9-19-12-8-6-5-7-11(12)15/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 285.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 65112402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).