N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide

C16H16FNOS — CID 141414602

IUPACN-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-12(19)18-16(13-7-9-14(17)10-8-13)11-20-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,18,19)
InChIKeyPENYRSLHYXLCDC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.80
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide

N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide (PubChem CID 141414602) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide
PubChem CID141414602
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide
SMILESCC(=O)NC(CSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H16FNOS/c1-12(19)18-16(13-7-9-14(17)10-8-13)11-20-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,18,19)
InChIKeyPENYRSLHYXLCDC-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide (CID 141414602) is N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide is CC(=O)NC(CSc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide?
The InChIKey is PENYRSLHYXLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12(19)18-16(13-7-9-14(17)10-8-13)11-20-15-5-3-2-4-6-15/h2-10,16H,11H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide?
N-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]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-[1-(4-fluorophenyl)-2-phenylsulfanylethyl]acetamide is sourced from PubChem (CID 141414602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).