2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C14H13Cl2NO2S — CID 7604220

IUPAC2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCc1cccs1
InChIInChI=1S/C14H13Cl2NO2S/c15-12-4-3-10(8-13(12)16)19-9-14(18)17-6-5-11-2-1-7-20-11/h1-4,7-8H,5-6,9H2,(H,17,18)
InChIKeyMJZXOXRLYRPGCJ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.79
Rot. Bonds6

About 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide

2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 7604220) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID7604220
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCc1cccs1
InChIInChI=1S/C14H13Cl2NO2S/c15-12-4-3-10(8-13(12)16)19-9-14(18)17-6-5-11-2-1-7-20-11/h1-4,7-8H,5-6,9H2,(H,17,18)
InChIKeyMJZXOXRLYRPGCJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
N-[2-(cyanoamino)ethyl]-2-(3,4-dichlorophenoxy)acetamide
CID 154687601
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 33296744
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 8951439
2-(2,6-dimethylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770102

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 7604220) is 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCCc1cccs1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is MJZXOXRLYRPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-12-4-3-10(8-13(12)16)19-9-14(18)17-6-5-11-2-1-7-20-11/h1-4,7-8H,5-6,9H2,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 7604220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).