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

C11H7BrN2O3S — CID 43424540

IUPAC5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1csc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-10-4-7(6-18-10)11(15)13-8-2-1-3-9(5-8)14(16)17/h1-6H,(H,13,15)
InChIKeyGFXQXXIQMFNUJT-UHFFFAOYSA-N
MW327.16 g/mol
LogP3.67
Rot. Bonds3

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

5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide (PubChem CID 43424540) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
PubChem CID43424540
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1csc(Br)c1
InChIInChI=1S/C11H7BrN2O3S/c12-10-4-7(6-18-10)11(15)13-8-2-1-3-9(5-8)14(16)17/h1-6H,(H,13,15)
InChIKeyGFXQXXIQMFNUJT-UHFFFAOYSA-N
XLogP3.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 53.67
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-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide (CID 43424540) is 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is GFXQXXIQMFNUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-10-4-7(6-18-10)11(15)13-8-2-1-3-9(5-8)14(16)17/h1-6H,(H,13,15).
What are the key properties of 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide?
5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).