2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C16H16FNO2S — CID 103944451

IUPAC2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CSc1ccccc1F)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20)/t14-/m0/s1
InChIKeyMZBHGOFLAPKOEK-AWEZNQCLSA-N
MW305.37 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 103944451) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID103944451
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESO=C(CSc1ccccc1F)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20)/t14-/m0/s1
InChIKeyMZBHGOFLAPKOEK-AWEZNQCLSA-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

(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
2-(cyanomethylsulfanyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63182591
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391360
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 103944451) is 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is O=C(CSc1ccccc1F)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is MZBHGOFLAPKOEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FNO2S/c17-13-8-4-5-9-15(13)21-11-16(20)18-14(10-19)12-6-2-1-3-7-12/h1-9,14,19H,10-11H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-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-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 103944451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).