5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide

C12H8Br2N2O3S — CID 79986830

IUPAC5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])sc1Br
InChIInChI=1S/C12H8Br2N2O3S/c1-6-4-10(20-11(6)14)12(17)15-8-3-2-7(13)5-9(8)16(18)19/h2-5H,1H3,(H,15,17)
InChIKeyVPLPUQFDWXFSBD-UHFFFAOYSA-N
MW420.08 g/mol
LogP4.74
Rot. Bonds3

About 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79986830) has the molecular formula C12H8Br2N2O3S and a molecular weight of 420.08 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
PubChem CID79986830
Molecular FormulaC12H8Br2N2O3S
Molecular Weight420.08 g/mol
Exact Mass417.86
IUPAC Name5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])sc1Br
InChIInChI=1S/C12H8Br2N2O3S/c1-6-4-10(20-11(6)14)12(17)15-8-3-2-7(13)5-9(8)16(18)19/h2-5H,1H3,(H,15,17)
InChIKeyVPLPUQFDWXFSBD-UHFFFAOYSA-N
XLogP4.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-bromo-2-nitrophenyl)-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

5-bromo-N-(4,5-dimethyl-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987721
5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide
CID 115912663
5-bromo-2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 79981101
5-bromo-N-(2-cyano-4-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987442
5-bromo-N-(2-hydroxy-5-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 103894360
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153
4,5-dibromo-N-(2-methyl-4-nitrophenyl)thiophene-2-carboxamide
CID 19205255
(4-bromo-2-nitrophenyl)urea
CID 54074030
N-(4-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 28880206
N-(4-bromo-2-nitrophenyl)-3-oxobutanamide
CID 4136951
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide (CID 79986830) is 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])sc1Br.
What is the InChIKey of 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is VPLPUQFDWXFSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3S/c1-6-4-10(20-11(6)14)12(17)15-8-3-2-7(13)5-9(8)16(18)19/h2-5H,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 420.08 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).