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

C16H16FNOS — CID 141414604

IUPACN-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyXGPGOQWFUYFWHS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.80
Rot. Bonds5

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

N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide (PubChem CID 141414604) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide
PubChem CID141414604
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1F)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyXGPGOQWFUYFWHS-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 846551
N-benzyl-2-(phenylthio)acetamide
CID 846429
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 4449807
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
2-(benzylthio)-N-(4-methylbenzyl)acetamide
CID 817430
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2985265

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide (CID 141414604) is N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide is CC(=O)NC(CSc1ccccc1F)c1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide?
The InChIKey is XGPGOQWFUYFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12(19)18-15(13-7-3-2-4-8-13)11-20-16-10-6-5-9-14(16)17/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide?
N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)sulfanyl-1-phenylethyl]acetamide is sourced from PubChem (CID 141414604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).