4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide

C10H14Br2N2O2S — CID 82994332

IUPAC4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
SMILESCOCCNCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H14Br2N2O2S/c1-16-5-4-13-2-3-14-10(15)8-6-7(11)9(12)17-8/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyNZBULARPPKQXQB-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.24
Rot. Bonds7

About 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 82994332) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
PubChem CID82994332
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC Name4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
SMILESCOCCNCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H14Br2N2O2S/c1-16-5-4-13-2-3-14-10(15)8-6-7(11)9(12)17-8/h6,13H,2-5H2,1H3,(H,14,15)
InChIKeyNZBULARPPKQXQB-UHFFFAOYSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-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 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide (CID 82994332) is 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide is COCCNCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is NZBULARPPKQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c1-16-5-4-13-2-3-14-10(15)8-6-7(11)9(12)17-8/h6,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 386.11 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 82994332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).