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

C19H20FNO2S2 — CID 9428695

IUPAC2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2S2/c1-13(14-2-6-16(20)7-3-14)21-18(22)12-23-17-8-4-15(5-9-17)19-24-10-11-25-19/h2-9,13,19H,10-12H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyLFOCCKFMQNLVEO-ZDUSSCGKSA-N
MW377.51 g/mol
LogP4.56
Rot. Bonds6

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

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 9428695) has the molecular formula C19H20FNO2S2 and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID9428695
Molecular FormulaC19H20FNO2S2
Molecular Weight377.51 g/mol
Exact Mass377.09
IUPAC Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2S2/c1-13(14-2-6-16(20)7-3-14)21-18(22)12-23-17-8-4-15(5-9-17)19-24-10-11-25-19/h2-9,13,19H,10-12H2,1H3,(H,21,22)/t13-/m0/s1
InChIKeyLFOCCKFMQNLVEO-ZDUSSCGKSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 9429421
N-[1-(4-bromophenyl)ethyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55383224
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 39939424
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[1-(4-fluorophenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876946
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 9428695) is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is LFOCCKFMQNLVEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FNO2S2/c1-13(14-2-6-16(20)7-3-14)21-18(22)12-23-17-8-4-15(5-9-17)19-24-10-11-25-19/h2-9,13,19H,10-12H2,1H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 9428695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).