5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide

C9H11BrN2O2S — CID 43424491

IUPAC5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H11BrN2O2S/c1-11-8(13)4-12(2)9(14)6-3-7(10)15-5-6/h3,5H,4H2,1-2H3,(H,11,13)
InChIKeyJAYKITULIWEKTG-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.33
Rot. Bonds3

About 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide

5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 43424491) has the molecular formula C9H11BrN2O2S and a molecular weight of 291.17 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
PubChem CID43424491
Molecular FormulaC9H11BrN2O2S
Molecular Weight291.17 g/mol
Exact Mass289.97
IUPAC Name5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1csc(Br)c1
InChIInChI=1S/C9H11BrN2O2S/c1-11-8(13)4-12(2)9(14)6-3-7(10)15-5-6/h3,5H,4H2,1-2H3,(H,11,13)
InChIKeyJAYKITULIWEKTG-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide (CID 43424491) is 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide is CNC(=O)CN(C)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is JAYKITULIWEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2S/c1-11-8(13)4-12(2)9(14)6-3-7(10)15-5-6/h3,5H,4H2,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide?
5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 43424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).