2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane

C10H14BrNO2S — CID 153399131

IUPAC2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane
SMILESCC.CN(C)C(=O)C(=O)c1cscc1Br
InChIInChI=1S/C8H8BrNO2S.C2H6/c1-10(2)8(12)7(11)5-3-13-4-6(5)9;1-2/h3-4H,1-2H3;1-2H3
InChIKeySMHZKNDHVLBFEY-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.81
Rot. Bonds2

About 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane

2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane (PubChem CID 153399131) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane
PubChem CID153399131
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane
SMILESCC.CN(C)C(=O)C(=O)c1cscc1Br
InChIInChI=1S/C8H8BrNO2S.C2H6/c1-10(2)8(12)7(11)5-3-13-4-6(5)9;1-2/h3-4H,1-2H3;1-2H3
InChIKeySMHZKNDHVLBFEY-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane?
The IUPAC name of 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane (CID 153399131) is 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane is CC.CN(C)C(=O)C(=O)c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane?
The InChIKey is SMHZKNDHVLBFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S.C2H6/c1-10(2)8(12)7(11)5-3-13-4-6(5)9;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane?
2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane has a molecular weight of 292.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-N,N-dimethyl-2-oxoacetamide;ethane is sourced from PubChem (CID 153399131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).