2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide

C12H16FNO2S — CID 43390373

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyVNSHHFRABIEZQV-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.80
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 43390373) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID43390373
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C12H16FNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16)
InChIKeyVNSHHFRABIEZQV-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-3-phenylsulfanylpropanoic acid
CID 95526
Phenylmercapturic Acid
CID 2723735
N-(3-ethoxypropyl)-2-(phenylthio)acetamide
CID 2180085
Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
N-cyclohexyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 893674
(2S)-2-[(2-phenylsulfanylacetyl)amino]propanoic acid
CID 61131667
1-[2-(4-Fluorophenyl)sulfanylethyl]-3-(2-hydroxyethyl)urea
CID 2826290
N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 4640800
Ethyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 47069933
3-(4-fluorophenyl)sulfanyl-N-(1-methoxypropan-2-yl)propanamide
CID 51072682
(2S)-3-methyl-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 61136612
(2S)-3-methyl-2-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 61136773

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (CID 43390373) is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is VNSHHFRABIEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-2-10(7-15)14-12(16)8-17-11-5-3-9(13)4-6-11/h3-6,10,15H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 43390373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).