2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide

C16H18N4O4S — CID 86766210

IUPAC2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(C/N=N/CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-24-14-6-2-12(3-7-14)10-18-19-11-16(21)20-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,20,21)(H2,17,22,23)/b19-18+
InChIKeyVRBUINXSTYZOHX-VHEBQXMUSA-N
MW362.41 g/mol
LogP1.93
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide

2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 86766210) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID86766210
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCOc1ccc(C/N=N/CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H18N4O4S/c1-24-14-6-2-12(3-7-14)10-18-19-11-16(21)20-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,20,21)(H2,17,22,23)/b19-18+
InChIKeyVRBUINXSTYZOHX-VHEBQXMUSA-N
XLogP1.93
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
N-(4-methoxyphenyl)-2-[2-(4-sulfamoylphenyl)hydrazinyl]acetamide
CID 2487783
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630
2-(4-methoxy-3-methylphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 16848496
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide (CID 86766210) is 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide is COc1ccc(C/N=N/CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VRBUINXSTYZOHX-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-24-14-6-2-12(3-7-14)10-18-19-11-16(21)20-13-4-8-15(9-5-13)25(17,22)23/h2-9H,10-11H2,1H3,(H,20,21)(H2,17,22,23)/b19-18+.
What are the key properties of 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyldiazenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 86766210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).