N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide

C17H13N3OS — CID 132506716

IUPACN-(2-phenyldiazenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1/N=N/c1ccccc1)c1cccs1
InChIInChI=1S/C17H13N3OS/c21-17(16-11-6-12-22-16)18-14-9-4-5-10-15(14)20-19-13-7-2-1-3-8-13/h1-12H,(H,18,21)/b20-19+
InChIKeySXANVCVUFZZGER-FMQUCBEESA-N
MW307.38 g/mol
LogP5.42
Rot. Bonds4

About N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide

N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide (PubChem CID 132506716) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenyldiazenylphenyl)thiophene-2-carboxamide
PubChem CID132506716
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC NameN-(2-phenyldiazenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1/N=N/c1ccccc1)c1cccs1
InChIInChI=1S/C17H13N3OS/c21-17(16-11-6-12-22-16)18-14-9-4-5-10-15(14)20-19-13-7-2-1-3-8-13/h1-12H,(H,18,21)/b20-19+
InChIKeySXANVCVUFZZGER-FMQUCBEESA-N
XLogP5.42
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.38
LogP ≤ 55.42
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

(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide
CID 175273963
N-(3-carbamoyl-2-phenylphenyl)thiophene-2-carboxamide
CID 174504895
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] thiophene-2-carboxylate
CID 4597016

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide (CID 132506716) is N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide is O=C(Nc1ccccc1/N=N/c1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide?
The InChIKey is SXANVCVUFZZGER-FMQUCBEESA-N. The full InChI is InChI=1S/C17H13N3OS/c21-17(16-11-6-12-22-16)18-14-9-4-5-10-15(14)20-19-13-7-2-1-3-8-13/h1-12H,(H,18,21)/b20-19+.
What are the key properties of N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide?
N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 132506716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).