5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

C19H20N4O4S2 — CID 56503128

IUPAC5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C19H20N4O4S2/c1-13-8-9-15(29(25,26)20-10-11-27-2)12-16(13)18(24)22-19-21-17(23-28-19)14-6-4-3-5-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,22,23,24)
InChIKeyYXRAGLCMFXOWBA-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.69
Rot. Bonds8

About 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 56503128) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID56503128
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)c1
InChIInChI=1S/C19H20N4O4S2/c1-13-8-9-15(29(25,26)20-10-11-27-2)12-16(13)18(24)22-19-21-17(23-28-19)14-6-4-3-5-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,22,23,24)
InChIKeyYXRAGLCMFXOWBA-UHFFFAOYSA-N
XLogP2.69
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 51164465
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(4-methyl-2-pyridinyl)benzamide
CID 46651612
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 35505735
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120717421

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 56503128) is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)c1.
What is the InChIKey of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is YXRAGLCMFXOWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-8-9-15(29(25,26)20-10-11-27-2)12-16(13)18(24)22-19-21-17(23-28-19)14-6-4-3-5-7-14/h3-9,12,20H,10-11H2,1-2H3,(H,21,22,23,24).
What are the key properties of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 432.53 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 56503128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).