N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide

C17H17F2NO2S — CID 146085028

IUPACN-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide
SMILESCCS(=O)c1ccccc1C(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2S/c1-2-23(22)16-9-4-3-6-13(16)17(21)20-11-10-12-14(18)7-5-8-15(12)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyDVHHYWPGGPBRCX-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide

N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide (PubChem CID 146085028) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide
PubChem CID146085028
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide
SMILESCCS(=O)c1ccccc1C(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2S/c1-2-23(22)16-9-4-3-6-13(16)17(21)20-11-10-12-14(18)7-5-8-15(12)19/h3-9H,2,10-11H2,1H3,(H,20,21)
InChIKeyDVHHYWPGGPBRCX-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47329826
1-ethylsulfinyl-2,3-difluorobenzene
CID 66796026
2-[(S)-ethylsulfinyl]-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 11945350
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
2-[(R)-ethylsulfinyl]-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97240651
N-[2-(2,6-difluorophenyl)ethyl]-4-methylsulfanylbenzamide
CID 78892562
N-[2-(2,6-difluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 119722593
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide (CID 146085028) is N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide is CCS(=O)c1ccccc1C(=O)NCCc1c(F)cccc1F.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide?
The InChIKey is DVHHYWPGGPBRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-2-23(22)16-9-4-3-6-13(16)17(21)20-11-10-12-14(18)7-5-8-15(12)19/h3-9H,2,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide?
N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide has a molecular weight of 337.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-2-ethylsulfinylbenzamide is sourced from PubChem (CID 146085028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).