2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide

C16H16FNO2S — CID 43391360

IUPAC2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCC(O)c1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-10-14(19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20)
InChIKeyWIMWYSNJMMIBOF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide (PubChem CID 43391360) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
PubChem CID43391360
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCC(O)c1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-10-14(19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20)
InChIKeyWIMWYSNJMMIBOF-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-(2-fluorophenyl)sulfanyl-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914295
2-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569219
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methylbutanoic acid
CID 80538451
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66172991
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide (CID 43391360) is 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide is O=C(CSc1ccccc1F)NCC(O)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is WIMWYSNJMMIBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-10-14(19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 43391360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).