N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide

C12H15F2NO2S — CID 113462669

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO2S/c1-9-4-2-3-5-10(9)18-6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17)
InChIKeyHZRFFYPDMYCBAM-UHFFFAOYSA-N
MW275.32 g/mol
LogP1.83
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 113462669) has the molecular formula C12H15F2NO2S and a molecular weight of 275.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID113462669
Molecular FormulaC12H15F2NO2S
Molecular Weight275.32 g/mol
Exact Mass275.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCC(F)(F)CO
InChIInChI=1S/C12H15F2NO2S/c1-9-4-2-3-5-10(9)18-6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17)
InChIKeyHZRFFYPDMYCBAM-UHFFFAOYSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)acetamide
CID 104858311
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
2-(2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618800
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858278
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
N-(3-amino-2-methylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 119995100
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide (CID 113462669) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is HZRFFYPDMYCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2S/c1-9-4-2-3-5-10(9)18-6-11(17)15-7-12(13,14)8-16/h2-5,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 275.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 113462669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).