2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

C12H14F2N2O2S — CID 94081336

IUPAC2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESC[C@@H](NC(=O)CSCC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-7(9-3-2-8(13)4-10(9)14)16-12(18)6-19-5-11(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17)(H,16,18)/t7-/m1/s1
InChIKeyWSQLLXHUTLJXKM-SSDOTTSWSA-N
MW288.32 g/mol
LogP1.36
Rot. Bonds6

About 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide

2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 94081336) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID94081336
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC Name2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESC[C@@H](NC(=O)CSCC(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O2S/c1-7(9-3-2-8(13)4-10(9)14)16-12(18)6-19-5-11(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17)(H,16,18)/t7-/m1/s1
InChIKeyWSQLLXHUTLJXKM-SSDOTTSWSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(2,4-difluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51150351
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9221151
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8818396
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 9429409
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide (CID 94081336) is 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide is C[C@@H](NC(=O)CSCC(N)=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is WSQLLXHUTLJXKM-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-7(9-3-2-8(13)4-10(9)14)16-12(18)6-19-5-11(15)17/h2-4,7H,5-6H2,1H3,(H2,15,17)(H,16,18)/t7-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 288.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 94081336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).