N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C17H17F2NOS — CID 132650849

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NOS/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-10-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyKXVZHFUUFFAPDS-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.08
Rot. Bonds6

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

N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 132650849) has the molecular formula C17H17F2NOS and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID132650849
Molecular FormulaC17H17F2NOS
Molecular Weight321.39 g/mol
Exact Mass321.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(NC(=O)CSCc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NOS/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-10-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyKXVZHFUUFFAPDS-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31542494
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190952
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 133185918
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133255559
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132651519
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78916745
N-[1-(4-fluorophenyl)ethyl]-2-(3-phenylpropylsulfanyl)acetamide
CID 47005981
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 100609945
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 132650849) is N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is CC(NC(=O)CSCc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is KXVZHFUUFFAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NOS/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-10-14-4-2-3-5-16(14)19/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 321.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 132650849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).