N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide

C14H19F2NO2S — CID 111335334

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-3-6-20-8-13(18)17-9-14(2,19)11-5-4-10(15)7-12(11)16/h4-5,7,19H,3,6,8-9H2,1-2H3,(H,17,18)
InChIKeyKAJLNVUMLAQDGL-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide (PubChem CID 111335334) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
PubChem CID111335334
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO2S/c1-3-6-20-8-13(18)17-9-14(2,19)11-5-4-10(15)7-12(11)16/h4-5,7,19H,3,6,8-9H2,1-2H3,(H,17,18)
InChIKeyKAJLNVUMLAQDGL-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
(2S)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methyl-3-methylsulfanylpropanamide
CID 96549103
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-phenylbutanamide
CID 111335375
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477656
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-prop-2-ynoxypropanamide
CID 109476951
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
(2R)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 100861022
(2S)-N-[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-propylpyrrolidine-2-carboxamide
CID 96525138
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
cis-(1R,2S)-2-[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132235
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide (CID 111335334) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide is CCCSCC(=O)NCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide?
The InChIKey is KAJLNVUMLAQDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-3-6-20-8-13(18)17-9-14(2,19)11-5-4-10(15)7-12(11)16/h4-5,7,19H,3,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide has a molecular weight of 303.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 111335334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).