N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide

C19H19F2NO2S — CID 42948520

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide
SMILESCC(NC(=O)CS(=O)C/C=C/c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2S/c1-14(17-10-9-16(20)12-18(17)21)22-19(23)13-25(24)11-5-8-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,23)/b8-5+
InChIKeyHOXIDNJOPVDOJF-VMPITWQZSA-N
MW363.43 g/mol
LogP3.60
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide (PubChem CID 42948520) has the molecular formula C19H19F2NO2S and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide
PubChem CID42948520
Molecular FormulaC19H19F2NO2S
Molecular Weight363.43 g/mol
Exact Mass363.11
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide
SMILESCC(NC(=O)CS(=O)C/C=C/c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2S/c1-14(17-10-9-16(20)12-18(17)21)22-19(23)13-25(24)11-5-8-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,23)/b8-5+
InChIKeyHOXIDNJOPVDOJF-VMPITWQZSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide
CID 8544764
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9429425
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
N-[1-(2,4-difluorophenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 110879965
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide (CID 42948520) is N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide is CC(NC(=O)CS(=O)C/C=C/c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide?
The InChIKey is HOXIDNJOPVDOJF-VMPITWQZSA-N. The full InChI is InChI=1S/C19H19F2NO2S/c1-14(17-10-9-16(20)12-18(17)21)22-19(23)13-25(24)11-5-8-15-6-3-2-4-7-15/h2-10,12,14H,11,13H2,1H3,(H,22,23)/b8-5+.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide has a molecular weight of 363.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[(E)-3-phenylprop-2-enyl]sulfinylacetamide is sourced from PubChem (CID 42948520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).