N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

C16H16FNO2S — CID 64666802

IUPACN-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO2S/c1-11(19)12-4-2-7-15(8-12)21-10-16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyYEQFIAHZVDODGJ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.61
Rot. Bonds5

About N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (PubChem CID 64666802) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
PubChem CID64666802
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCC(O)c1cccc(SCC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO2S/c1-11(19)12-4-2-7-15(8-12)21-10-16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyYEQFIAHZVDODGJ-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
N-(3-fluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766160
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 63315183
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (CID 64666802) is N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is CC(O)c1cccc(SCC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The InChIKey is YEQFIAHZVDODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11(19)12-4-2-7-15(8-12)21-10-16(20)18-14-6-3-5-13(17)9-14/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide has a molecular weight of 305.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 64666802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).