1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone

C11H15Cl2NO2S — CID 54948907

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
SMILESCCN(CCOC)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-3-14(4-5-16-2)7-9(15)8-6-10(12)17-11(8)13/h6H,3-5,7H2,1-2H3
InChIKeyHTJBTUWFERMXGJ-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.21
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone (PubChem CID 54948907) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
PubChem CID54948907
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
SMILESCCN(CCOC)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-3-14(4-5-16-2)7-9(15)8-6-10(12)17-11(8)13/h6H,3-5,7H2,1-2H3
InChIKeyHTJBTUWFERMXGJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 61446805
1-(2,5-dichlorothiophen-3-yl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanone
CID 104563843
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 43801651
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63966848
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
2-[ethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61446317
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone (CID 54948907) is 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone is CCN(CCOC)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
The InChIKey is HTJBTUWFERMXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-3-14(4-5-16-2)7-9(15)8-6-10(12)17-11(8)13/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone has a molecular weight of 296.22 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone is sourced from PubChem (CID 54948907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).