5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide

C17H12BrN3OS — CID 18293102

IUPAC5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C17H12BrN3OS/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+
InChIKeyLDDYSWZFIHUFCQ-QZQOTICOSA-N
MW386.27 g/mol
LogP6.18
Rot. Bonds4

About 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide

5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide (PubChem CID 18293102) has the molecular formula C17H12BrN3OS and a molecular weight of 386.27 g/mol. Its IUPAC name is 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
PubChem CID18293102
Molecular FormulaC17H12BrN3OS
Molecular Weight386.27 g/mol
Exact Mass384.99
IUPAC Name5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)s1
InChIInChI=1S/C17H12BrN3OS/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+
InChIKeyLDDYSWZFIHUFCQ-QZQOTICOSA-N
XLogP6.18
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.27
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 3406026
5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
5-bromo-N-(2-phenylphenyl)thiophene-2-carboxamide
CID 1246451
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
5-bromo-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 56786334
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide (CID 18293102) is 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide?
The InChIKey is LDDYSWZFIHUFCQ-QZQOTICOSA-N. The full InChI is InChI=1S/C17H12BrN3OS/c18-16-11-10-15(23-16)17(22)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11H,(H,19,22)/b21-20+.
What are the key properties of 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide?
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide has a molecular weight of 386.27 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18293102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).