5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide

C12H9BrN2O4S — CID 43424598

IUPAC5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H9BrN2O4S/c1-19-10-3-2-8(15(17)18)5-9(10)14-12(16)7-4-11(13)20-6-7/h2-6H,1H3,(H,14,16)
InChIKeyAKFWVQGSVYSOOR-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.68
Rot. Bonds4

About 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide

5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide (PubChem CID 43424598) has the molecular formula C12H9BrN2O4S and a molecular weight of 357.19 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
PubChem CID43424598
Molecular FormulaC12H9BrN2O4S
Molecular Weight357.19 g/mol
Exact Mass355.95
IUPAC Name5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H9BrN2O4S/c1-19-10-3-2-8(15(17)18)5-9(10)14-12(16)7-4-11(13)20-6-7/h2-6H,1H3,(H,14,16)
InChIKeyAKFWVQGSVYSOOR-UHFFFAOYSA-N
XLogP3.68
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 43424540
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
4-bromo-N-(2-methoxy-4-nitrophenyl)benzamide
CID 5234028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide (CID 43424598) is 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is AKFWVQGSVYSOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O4S/c1-19-10-3-2-8(15(17)18)5-9(10)14-12(16)7-4-11(13)20-6-7/h2-6H,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide?
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 357.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).