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

C12H11Cl2NOS2 — CID 62050817

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cc(Cl)sc1Cl)Cc1cccs1
InChIInChI=1S/C12H11Cl2NOS2/c1-15(6-8-3-2-4-17-8)7-10(16)9-5-11(13)18-12(9)14/h2-5H,6-7H2,1H3
InChIKeyUPIJQAZXVVLLDR-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.43
Rot. Bonds5

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

1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (PubChem CID 62050817) has the molecular formula C12H11Cl2NOS2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
PubChem CID62050817
Molecular FormulaC12H11Cl2NOS2
Molecular Weight320.27 g/mol
Exact Mass318.97
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)c1cc(Cl)sc1Cl)Cc1cccs1
InChIInChI=1S/C12H11Cl2NOS2/c1-15(6-8-3-2-4-17-8)7-10(16)9-5-11(13)18-12(9)14/h2-5H,6-7H2,1H3
InChIKeyUPIJQAZXVVLLDR-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650482
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(1H-indol-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650536
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
2-[methyl(thiophen-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 60650562
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 35820203
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
2-(chloromethyl)-N-methyl-N-(thiophen-2-ylmethyl)prop-2-en-1-amine
CID 103067645
1-(2,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79486033
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone (CID 62050817) is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone is CN(CC(=O)c1cc(Cl)sc1Cl)Cc1cccs1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
The InChIKey is UPIJQAZXVVLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NOS2/c1-15(6-8-3-2-4-17-8)7-10(16)9-5-11(13)18-12(9)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone has a molecular weight of 320.27 g/mol, XLogP of 4.43, 5 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-[methyl(thiophen-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 62050817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).