2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide

C16H16FNOS — CID 894218

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyLMEUAALZKWNVQD-GFCCVEGCSA-N
MW289.38 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 894218) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
PubChem CID894218
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyLMEUAALZKWNVQD-GFCCVEGCSA-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-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(4-aminophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43299114
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284441
2-(4-ethoxyphenyl)sulfanyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 134028864
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43240732
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937161
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011185
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[1-(4-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17444667

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide (CID 894218) is 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is LMEUAALZKWNVQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1R)-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 2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 894218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).