4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide

C12H8Br2N2O4S — CID 19205153

IUPAC4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Br2N2O4S/c1-20-6-2-3-8(9(4-6)16(18)19)15-12(17)10-5-7(13)11(14)21-10/h2-5H,1H3,(H,15,17)
InChIKeyANMUKEBOQGTXGJ-UHFFFAOYSA-N
MW436.08 g/mol
LogP4.44
Rot. Bonds4

About 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide (PubChem CID 19205153) has the molecular formula C12H8Br2N2O4S and a molecular weight of 436.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
PubChem CID19205153
Molecular FormulaC12H8Br2N2O4S
Molecular Weight436.08 g/mol
Exact Mass433.86
IUPAC Name4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Br2N2O4S/c1-20-6-2-3-8(9(4-6)16(18)19)15-12(17)10-5-7(13)11(14)21-10/h2-5H,1H3,(H,15,17)
InChIKeyANMUKEBOQGTXGJ-UHFFFAOYSA-N
XLogP4.44
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.44
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-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
5-bromo-N-(4-bromo-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79986830
3,5-ditert-butyl-4-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 23370079
N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142
4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480358
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
5-bromo-N-(4,5-dimethyl-2-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987721
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide (CID 19205153) is 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(Br)c(Br)s2)c([N+](=O)[O-])c1.
What is the InChIKey of 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is ANMUKEBOQGTXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O4S/c1-20-6-2-3-8(9(4-6)16(18)19)15-12(17)10-5-7(13)11(14)21-10/h2-5H,1H3,(H,15,17).
What are the key properties of 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide has a molecular weight of 436.08 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19205153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).