2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C15H12ClN3O3S — CID 9380947

IUPAC2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC(=O)NCc2cccs2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3S/c16-12-6-10(7-17)3-4-13(12)22-9-14(20)19-15(21)18-8-11-2-1-5-23-11/h1-6H,8-9H2,(H2,18,19,20,21)
InChIKeyGXJFXSGNJXLBDA-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 9380947) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID9380947
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NC(=O)NCc2cccs2)c(Cl)c1
InChIInChI=1S/C15H12ClN3O3S/c16-12-6-10(7-17)3-4-13(12)22-9-14(20)19-15(21)18-8-11-2-1-5-23-11/h1-6H,8-9H2,(H2,18,19,20,21)
InChIKeyGXJFXSGNJXLBDA-UHFFFAOYSA-N
XLogP2.68
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8978027
2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55443698
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
3-chloro-4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]benzonitrile
CID 97243421
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523725
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 9380947) is 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is N#Cc1ccc(OCC(=O)NC(=O)NCc2cccs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is GXJFXSGNJXLBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-12-6-10(7-17)3-4-13(12)22-9-14(20)19-15(21)18-8-11-2-1-5-23-11/h1-6H,8-9H2,(H2,18,19,20,21).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 349.80 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 9380947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).