N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

C19H19F2NO2S2 — CID 9429421

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2S2/c1-12(16-7-4-14(20)10-17(16)21)22-18(23)11-24-15-5-2-13(3-6-15)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyIYDOXQRJNKIIFW-GFCCVEGCSA-N
MW395.50 g/mol
LogP4.70
Rot. Bonds6

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 9429421) has the molecular formula C19H19F2NO2S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
PubChem CID9429421
Molecular FormulaC19H19F2NO2S2
Molecular Weight395.50 g/mol
Exact Mass395.08
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H19F2NO2S2/c1-12(16-7-4-14(20)10-17(16)21)22-18(23)11-24-15-5-2-13(3-6-15)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyIYDOXQRJNKIIFW-GFCCVEGCSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 9428695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791391
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 39939424
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(4-fluoro-2-methylphenyl)acetamide
CID 9428504
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
N-[1-(4-bromophenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55383224
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
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9231979
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 9429421) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is C[C@@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The InChIKey is IYDOXQRJNKIIFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19F2NO2S2/c1-12(16-7-4-14(20)10-17(16)21)22-18(23)11-24-15-5-2-13(3-6-15)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9429421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).