2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

C16H19ClN2O2S — CID 18161769

IUPAC2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)13(15-8-5-9-22-15)10-18-16(20)11-21-14-7-4-3-6-12(14)17/h3-9,13H,10-11H2,1-2H3,(H,18,20)
InChIKeyAAMDHERHILBTBE-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.20
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide

2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (PubChem CID 18161769) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
PubChem CID18161769
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
SMILESCN(C)C(CNC(=O)COc1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)13(15-8-5-9-22-15)10-18-16(20)11-21-14-7-4-3-6-12(14)17/h3-9,13H,10-11H2,1-2H3,(H,18,20)
InChIKeyAAMDHERHILBTBE-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161893
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]acetamide
CID 45155076
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 112503957
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methoxyethoxy)acetamide
CID 103606863
2-(2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914944
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide (CID 18161769) is 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is CN(C)C(CNC(=O)COc1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is AAMDHERHILBTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-19(2)13(15-8-5-9-22-15)10-18-16(20)11-21-14-7-4-3-6-12(14)17/h3-9,13H,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide?
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 18161769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).