2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

C19H21NO2S2 — CID 9428045

IUPAC2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C19H21NO2S2/c1-14-2-4-15(5-3-14)12-20-18(21)13-22-17-8-6-16(7-9-17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyFLWBRYPFZLEDOB-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.17
Rot. Bonds6

About 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 9428045) has the molecular formula C19H21NO2S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID9428045
Molecular FormulaC19H21NO2S2
Molecular Weight359.52 g/mol
Exact Mass359.10
IUPAC Name2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1
InChIInChI=1S/C19H21NO2S2/c1-14-2-4-15(5-3-14)12-20-18(21)13-22-17-8-6-16(7-9-17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21)
InChIKeyFLWBRYPFZLEDOB-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55800689
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 9428045) is 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1.
What is the InChIKey of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is FLWBRYPFZLEDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S2/c1-14-2-4-15(5-3-14)12-20-18(21)13-22-17-8-6-16(7-9-17)19-23-10-11-24-19/h2-9,19H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 4.17, 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 9428045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).