N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide

C15H12N4O4S — CID 708716

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O4S/c1-9-6-7-10-15(18-24-17-10)14(9)16-13(20)8-23-12-5-3-2-4-11(12)19(21)22/h2-7H,8H2,1H3,(H,16,20)
InChIKeyOXBGCCSJCIAHRY-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.93
Rot. Bonds5

About N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide (PubChem CID 708716) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide
PubChem CID708716
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N4O4S/c1-9-6-7-10-15(18-24-17-10)14(9)16-13(20)8-23-12-5-3-2-4-11(12)19(21)22/h2-7H,8H2,1H3,(H,16,20)
InChIKeyOXBGCCSJCIAHRY-UHFFFAOYSA-N
XLogP2.93
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide 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

2-(2-fluorophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2989641
2-(2,3-dimethylphenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 3160964
N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxy-3-nitrobenzamide
CID 711896
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide
CID 711915
N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 711919
4-methoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitrobenzamide
CID 1227072
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide
CID 4908066
N-(2-ethoxyphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 3409148
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
CID 3160957
2-(4-methylphenoxy)-N-(6-methyl-2-phenyl-2H-benzotriazol-5-yl)acetamide
CID 7333473
N-[6-methyl-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-phenoxyacetamide
CID 16000412
N-(2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
CID 711914

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide (CID 708716) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide is Cc1ccc2nsnc2c1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is OXBGCCSJCIAHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-9-6-7-10-15(18-24-17-10)14(9)16-13(20)8-23-12-5-3-2-4-11(12)19(21)22/h2-7H,8H2,1H3,(H,16,20).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 344.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 708716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).