2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide

C14H16N2O2S — CID 115674794

IUPAC2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC1CCCSC1
InChIInChI=1S/C14H16N2O2S/c15-8-11-4-1-2-6-13(11)18-9-14(17)16-12-5-3-7-19-10-12/h1-2,4,6,12H,3,5,7,9-10H2,(H,16,17)
InChIKeyWFCOBYQXPBFRIJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide

2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide (PubChem CID 115674794) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
PubChem CID115674794
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC1CCCSC1
InChIInChI=1S/C14H16N2O2S/c15-8-11-4-1-2-6-13(11)18-9-14(17)16-12-5-3-7-19-10-12/h1-2,4,6,12H,3,5,7,9-10H2,(H,16,17)
InChIKeyWFCOBYQXPBFRIJ-UHFFFAOYSA-N
XLogP1.95
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563
2-(2-cyanophenoxy)-N-(1,4-dithian-2-ylmethyl)acetamide
CID 115684629
2-(2-cyanophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 62897007
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
CID 115674764
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995
2-(2-cyanophenoxy)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138707
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide (CID 115674794) is 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide is N#Cc1ccccc1OCC(=O)NC1CCCSC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide?
The InChIKey is WFCOBYQXPBFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-8-11-4-1-2-6-13(11)18-9-14(17)16-12-5-3-7-19-10-12/h1-2,4,6,12H,3,5,7,9-10H2,(H,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide?
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide has a molecular weight of 276.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide is sourced from PubChem (CID 115674794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).