N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide

C13H12Br2N2OS — CID 107959498

IUPACN-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H12Br2N2OS/c1-6-3-8(16)4-7(2)11(6)17-13(18)9-5-10(14)19-12(9)15/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyLEZFIUQNHBWVLK-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.72
Rot. Bonds2

About N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide

N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide (PubChem CID 107959498) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
PubChem CID107959498
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C13H12Br2N2OS/c1-6-3-8(16)4-7(2)11(6)17-13(18)9-5-10(14)19-12(9)15/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyLEZFIUQNHBWVLK-UHFFFAOYSA-N
XLogP4.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.13
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 103298331
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
CID 103805348
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide (CID 107959498) is N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide is Cc1cc(N)cc(C)c1NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide?
The InChIKey is LEZFIUQNHBWVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-6-3-8(16)4-7(2)11(6)17-13(18)9-5-10(14)19-12(9)15/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide?
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide has a molecular weight of 404.13 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide is sourced from PubChem (CID 107959498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).