5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide

C14H13Br2NOS — CID 79989758

IUPAC5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2C)sc1Br
InChIInChI=1S/C14H13Br2NOS/c1-7-4-10(15)5-8(2)12(7)17-14(18)11-6-9(3)13(16)19-11/h4-6H,1-3H3,(H,17,18)
InChIKeyPXUUNRIIBBJFHT-UHFFFAOYSA-N
MW403.14 g/mol
LogP5.45
Rot. Bonds2

About 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79989758) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID79989758
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)cc(Br)cc2C)sc1Br
InChIInChI=1S/C14H13Br2NOS/c1-7-4-10(15)5-8(2)12(7)17-14(18)11-6-9(3)13(16)19-11/h4-6H,1-3H3,(H,17,18)
InChIKeyPXUUNRIIBBJFHT-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.14
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-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

Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
5-bromo-N-(4-bromo-2,6-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79947502
N-(4-bromo-2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 60793818
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
N-(4-bromo-2,6-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 60794958
5-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methylthiophene-2-carboxamide
CID 79999578
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
5-bromo-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 79964883
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide (CID 79989758) is 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2c(C)cc(Br)cc2C)sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is PXUUNRIIBBJFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-7-4-10(15)5-8(2)12(7)17-14(18)11-6-9(3)13(16)19-11/h4-6H,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 403.14 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79989758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).