1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

C12H17Cl2NOS — CID 63966848

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3
InChIKeyWDRKRJDIKRJMOH-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.36
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (PubChem CID 63966848) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
PubChem CID63966848
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILESCCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3
InChIKeyWDRKRJDIKRJMOH-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2,2-dimethylbutan-1-one
CID 62677830
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
1-(2,4-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63965525
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 62053273
1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 35820203
1-(5-bromothiophen-2-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964423
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(2,5-dichlorothiophen-3-yl)nonan-1-one
CID 65450253
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-[methyl(2-methylbutan-2-yl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (CID 63966848) is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is CCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
The InChIKey is WDRKRJDIKRJMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone has a molecular weight of 294.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 63966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).