N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide

C13H12Br2N2OS — CID 79976343

IUPACN-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2N)sc1Br
InChIInChI=1S/C13H12Br2N2OS/c1-6-3-8(14)5-9(16)11(6)17-13(18)10-4-7(2)12(15)19-10/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeySAXAVMHEOJCLJN-UHFFFAOYSA-N
MW404.13 g/mol
LogP4.72
Rot. Bonds2

About N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide

N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79976343) has the molecular formula C13H12Br2N2OS and a molecular weight of 404.13 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79976343
Molecular FormulaC13H12Br2N2OS
Molecular Weight404.13 g/mol
Exact Mass401.90
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2N)sc1Br
InChIInChI=1S/C13H12Br2N2OS/c1-6-3-8(14)5-9(16)11(6)17-13(18)10-4-7(2)12(15)19-10/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeySAXAVMHEOJCLJN-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

5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
N-(2-amino-4-bromo-6-methylphenyl)-2,4-dichlorobenzamide
CID 43549936
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
N-(2-amino-4-bromo-6-methylphenyl)-5-bromopyridine-2-carboxamide
CID 55152866
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
3-amino-4-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981305
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(2-amino-4-bromo-6-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 43549991

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide (CID 79976343) is N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2c(C)cc(Br)cc2N)sc1Br.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is SAXAVMHEOJCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2OS/c1-6-3-8(14)5-9(16)11(6)17-13(18)10-4-7(2)12(15)19-10/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-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-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79976343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).