N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide

C17H13N5OS — CID 62706004

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
InChIKeyGNSZVDTUBRFWEP-UHFFFAOYSA-N
MW335.39 g/mol
LogP5.19
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide (PubChem CID 62706004) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide
PubChem CID62706004
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide
SMILES[N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
InChIInChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23)
InChIKeyGNSZVDTUBRFWEP-UHFFFAOYSA-N
XLogP5.19
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.39
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide (CID 62706004) is N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide is [N-]=[N+]=Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide?
The InChIKey is GNSZVDTUBRFWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c18-14-8-5-12(16-2-1-9-24-16)10-15(14)20-17(23)11-3-6-13(7-4-11)21-22-19/h1-10H,18H2,(H,20,23).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide has a molecular weight of 335.39 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-azidobenzamide is sourced from PubChem (CID 62706004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).