2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide

C20H23NO2S2 — CID 17478347

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCCc1ccccc1
InChIInChI=1S/C20H23NO2S2/c22-19(21-12-11-16-5-2-1-3-6-16)15-23-18-9-7-17(8-10-18)20-24-13-4-14-25-20/h1-3,5-10,20H,4,11-15H2,(H,21,22)
InChIKeyQGUPSXHGILLHOM-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.29
Rot. Bonds7

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide (PubChem CID 17478347) has the molecular formula C20H23NO2S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
PubChem CID17478347
Molecular FormulaC20H23NO2S2
Molecular Weight373.54 g/mol
Exact Mass373.12
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCCc1ccccc1
InChIInChI=1S/C20H23NO2S2/c22-19(21-12-11-16-5-2-1-3-6-16)15-23-18-9-7-17(8-10-18)20-24-13-4-14-25-20/h1-3,5-10,20H,4,11-15H2,(H,21,22)
InChIKeyQGUPSXHGILLHOM-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
CID 25395818
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
N-(2-amino-2-phenylethyl)-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide;hydrochloride
CID 119527747
N-cyclooctyl-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
CID 55382021
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 75429449
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[4-(4-methylpiperidin-1-yl)butyl]acetamide
CID 55716486
N-[3-[[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55893531
[2-(benzylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8594859
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
CID 7894443
(2R)-2-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-N-propylpropanamide
CID 51578802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide (CID 17478347) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
The InChIKey is QGUPSXHGILLHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S2/c22-19(21-12-11-16-5-2-1-3-6-16)15-23-18-9-7-17(8-10-18)20-24-13-4-14-25-20/h1-3,5-10,20H,4,11-15H2,(H,21,22).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide has a molecular weight of 373.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 17478347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).