2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide

C9H10Cl2N2O2S — CID 62053334

IUPAC2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2N2O2S/c1-13(4-8(12)15)3-6(14)5-2-7(10)16-9(5)11/h2H,3-4H2,1H3,(H2,12,15)
InChIKeyHTCFMFJRRDHJDQ-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.65
Rot. Bonds5

About 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide

2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 62053334) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
PubChem CID62053334
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Name2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(N)=O)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2N2O2S/c1-13(4-8(12)15)3-6(14)5-2-7(10)16-9(5)11/h2H,3-4H2,1H3,(H2,12,15)
InChIKeyHTCFMFJRRDHJDQ-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide (CID 62053334) is 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide is CN(CC(N)=O)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HTCFMFJRRDHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2S/c1-13(4-8(12)15)3-6(14)5-2-7(10)16-9(5)11/h2H,3-4H2,1H3,(H2,12,15).
What are the key properties of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide?
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 281.16 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 62053334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).