2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide

C24H23FN2O3S2 — CID 55800584

IUPAC2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C24H23FN2O3S2/c25-19-5-9-21(10-6-19)30-23-11-2-17(15-27-23)14-26-22(28)16-29-20-7-3-18(4-8-20)24-31-12-1-13-32-24/h2-11,15,24H,1,12-14,16H2,(H,26,28)
InChIKeyDTODVQDYXZEBGY-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.58
Rot. Bonds8

About 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide

2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 55800584) has the molecular formula C24H23FN2O3S2 and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID55800584
Molecular FormulaC24H23FN2O3S2
Molecular Weight470.59 g/mol
Exact Mass470.11
IUPAC Name2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C24H23FN2O3S2/c25-19-5-9-21(10-6-19)30-23-11-2-17(15-27-23)14-26-22(28)16-29-20-7-3-18(4-8-20)24-31-12-1-13-32-24/h2-11,15,24H,1,12-14,16H2,(H,26,28)
InChIKeyDTODVQDYXZEBGY-UHFFFAOYSA-N
XLogP5.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

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-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 9428045
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
5-(dithiolan-3-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pentanamide
CID 55859159
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995301
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744194
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)acetamide
CID 55382041
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide (CID 55800584) is 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide is O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is DTODVQDYXZEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S2/c25-19-5-9-21(10-6-19)30-23-11-2-17(15-27-23)14-26-22(28)16-29-20-7-3-18(4-8-20)24-31-12-1-13-32-24/h2-11,15,24H,1,12-14,16H2,(H,26,28).
What are the key properties of 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 470.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55800584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).