2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide

C14H16N2O2S2 — CID 115684629

IUPAC2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC1CSCCS1
InChIInChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-4-13(11)18-9-14(17)16-8-12-10-19-5-6-20-12/h1-4,12H,5-6,8-10H2,(H,16,17)
InChIKeyYZPBCBVNZGBGRY-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.90
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide

2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide (PubChem CID 115684629) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide
PubChem CID115684629
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC1CSCCS1
InChIInChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-4-13(11)18-9-14(17)16-8-12-10-19-5-6-20-12/h1-4,12H,5-6,8-10H2,(H,16,17)
InChIKeyYZPBCBVNZGBGRY-UHFFFAOYSA-N
XLogP1.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
CID 115674794
2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
2-(2-cyanophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857248
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-anilino-N-(1,4-dithian-2-ylmethyl)acetamide;hydrochloride
CID 119788268
2-(2-cyanophenoxy)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737425
2-(2-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115360382
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide (CID 115684629) is 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide is N#Cc1ccccc1OCC(=O)NCC1CSCCS1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide?
The InChIKey is YZPBCBVNZGBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c15-7-11-3-1-2-4-13(11)18-9-14(17)16-8-12-10-19-5-6-20-12/h1-4,12H,5-6,8-10H2,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide?
2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide is sourced from PubChem (CID 115684629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).