2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

C16H18Cl2N2O2S — CID 18161893

IUPAC2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)13(15-4-3-7-23-15)9-19-16(21)10-22-14-8-11(17)5-6-12(14)18/h3-8,13H,9-10H2,1-2H3,(H,19,21)
InChIKeyCKKAHAPUBYAJBN-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.85
Rot. Bonds7

About 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (PubChem CID 18161893) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
PubChem CID18161893
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1cc(Cl)ccc1Cl)c1cccs1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)13(15-4-3-7-23-15)9-19-16(21)10-22-14-8-11(17)5-6-12(14)18/h3-8,13H,9-10H2,1-2H3,(H,19,21)
InChIKeyCKKAHAPUBYAJBN-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161769
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
2-(2,5-dichlorophenoxy)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66109028
2-(2,5-dichlorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771579
2-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18169478
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (CID 18161893) is 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is CN(C)C(CNC(=O)COc1cc(Cl)ccc1Cl)c1cccs1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is CKKAHAPUBYAJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-20(2)13(15-4-3-7-23-15)9-19-16(21)10-22-14-8-11(17)5-6-12(14)18/h3-8,13H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 373.31 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 18161893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).