2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

C20H16N2O2S2 — CID 18275752

IUPAC2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccccc2SCc2ccsc2)cc1
InChIInChI=1S/C20H16N2O2S2/c21-11-15-5-7-17(8-6-15)24-12-20(23)22-18-3-1-2-4-19(18)26-14-16-9-10-25-13-16/h1-10,13H,12,14H2,(H,22,23)
InChIKeyISYYQNRDMNHRNK-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.93
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide

2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 18275752) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID18275752
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC Name2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccccc2SCc2ccsc2)cc1
InChIInChI=1S/C20H16N2O2S2/c21-11-15-5-7-17(8-6-15)24-12-20(23)22-18-3-1-2-4-19(18)26-14-16-9-10-25-13-16/h1-10,13H,12,14H2,(H,22,23)
InChIKeyISYYQNRDMNHRNK-UHFFFAOYSA-N
XLogP4.93
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514543
N-(2-benzylphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503196
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 16595652
2-[4-(4-cyanophenyl)phenoxy]-N-(2-ethylphenyl)acetamide
CID 7966721
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514537
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 24514517
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200
methyl 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 3469007
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-[4-(4-cyanophenyl)phenoxy]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 7670294

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide (CID 18275752) is 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is N#Cc1ccc(OCC(=O)Nc2ccccc2SCc2ccsc2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is ISYYQNRDMNHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c21-11-15-5-7-17(8-6-15)24-12-20(23)22-18-3-1-2-4-19(18)26-14-16-9-10-25-13-16/h1-10,13H,12,14H2,(H,22,23).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide?
2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 18275752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).