2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

C13H12N2O4S — CID 60705194

IUPAC2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H12N2O4S/c14-7-10-3-1-2-4-12(10)19-8-13(16)15-11-5-6-20(17,18)9-11/h1-6,11H,8-9H2,(H,15,16)
InChIKeyFQZXHUMDHJXPEL-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.36
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide

2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 60705194) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID60705194
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C13H12N2O4S/c14-7-10-3-1-2-4-12(10)19-8-13(16)15-11-5-6-20(17,18)9-11/h1-6,11H,8-9H2,(H,15,16)
InChIKeyFQZXHUMDHJXPEL-UHFFFAOYSA-N
XLogP0.36
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(thian-4-yl)acetamide
CID 115599761
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(2-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610563
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
CID 115674794
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 81322778
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
2-(2-cyanophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4235995
2-(2-cyanophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 62897007
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 60705194) is 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is N#Cc1ccccc1OCC(=O)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is FQZXHUMDHJXPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c14-7-10-3-1-2-4-12(10)19-8-13(16)15-11-5-6-20(17,18)9-11/h1-6,11H,8-9H2,(H,15,16).
What are the key properties of 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 292.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 60705194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).