5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide

C13H11BrN2O3S — CID 115912663

IUPAC5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C13H11BrN2O3S/c1-7-3-4-10(16(18)19)9(5-7)15-13(17)11-6-8(2)12(14)20-11/h3-6H,1-2H3,(H,15,17)
InChIKeyLSFJFFCHRLCXPK-UHFFFAOYSA-N
MW355.21 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide (PubChem CID 115912663) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide
PubChem CID115912663
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C13H11BrN2O3S/c1-7-3-4-10(16(18)19)9(5-7)15-13(17)11-6-8(2)12(14)20-11/h3-6H,1-2H3,(H,15,17)
InChIKeyLSFJFFCHRLCXPK-UHFFFAOYSA-N
XLogP4.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 54.29
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'}

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Related Compounds

5-bromo-N-(4,5-dimethyl-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987721
5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79986830
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
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
4,5-dibromo-N-(2-methyl-4-nitrophenyl)thiophene-2-carboxamide
CID 19205255
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide (CID 115912663) is 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide is Cc1ccc([N+](=O)[O-])c(NC(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is LSFJFFCHRLCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c1-7-3-4-10(16(18)19)9(5-7)15-13(17)11-6-8(2)12(14)20-11/h3-6H,1-2H3,(H,15,17).
What are the key properties of 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 115912663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).