3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide

C12H10Br2N2O2S — CID 103410452

IUPAC3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2N)c(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c1-18-10-5-9(6(13)4-7(10)14)16-12(17)11-8(15)2-3-19-11/h2-5H,15H2,1H3,(H,16,17)
InChIKeyVEBRLLHNCLZOMM-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.12
Rot. Bonds3

About 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 103410452) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
PubChem CID103410452
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2sccc2N)c(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c1-18-10-5-9(6(13)4-7(10)14)16-12(17)11-8(15)2-3-19-11/h2-5H,15H2,1H3,(H,16,17)
InChIKeyVEBRLLHNCLZOMM-UHFFFAOYSA-N
XLogP4.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-amino-N-(2-bromo-4-cyanophenyl)thiophene-2-carboxamide
CID 114002425
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide (CID 103410452) is 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2sccc2N)c(Br)cc1Br.
What is the InChIKey of 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is VEBRLLHNCLZOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c1-18-10-5-9(6(13)4-7(10)14)16-12(17)11-8(15)2-3-19-11/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 406.10 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 103410452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).