2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C21H17ClN2O4S — CID 55443698

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC(=O)NCc1cccs1
InChIInChI=1S/C21H17ClN2O4S/c22-16-7-3-14(4-8-16)20(26)15-5-9-17(10-6-15)28-13-19(25)24-21(27)23-12-18-2-1-11-29-18/h1-11H,12-13H2,(H2,23,24,25,27)
InChIKeyDFJKNZIYFHVGQD-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.04
Rot. Bonds7

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 55443698) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID55443698
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC(=O)NCc1cccs1
InChIInChI=1S/C21H17ClN2O4S/c22-16-7-3-14(4-8-16)20(26)15-5-9-17(10-6-15)28-13-19(25)24-21(27)23-12-18-2-1-11-29-18/h1-11H,12-13H2,(H2,23,24,25,27)
InChIKeyDFJKNZIYFHVGQD-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9380947
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-(4-chlorophenoxy)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 2330945
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899204
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dichlorobenzoate
CID 27213023
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795142
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-chloro-3-methylsulfonylbenzoate
CID 27270268
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 55791868
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate
CID 9473607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 55443698) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is DFJKNZIYFHVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c22-16-7-3-14(4-8-16)20(26)15-5-9-17(10-6-15)28-13-19(25)24-21(27)23-12-18-2-1-11-29-18/h1-11H,12-13H2,(H2,23,24,25,27).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 428.90 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 55443698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).