3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

C16H14BrN3O2S — CID 4302360

IUPAC3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyGJMPMFKAWFLUJD-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.41
Rot. Bonds4

About 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 4302360) has the molecular formula C16H14BrN3O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID4302360
Molecular FormulaC16H14BrN3O2S
Molecular Weight392.28 g/mol
Exact Mass391.00
IUPAC Name3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Br
InChIInChI=1S/C16H14BrN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21)
InChIKeyGJMPMFKAWFLUJD-UHFFFAOYSA-N
XLogP4.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 714299
N-[2-(4-ethylphenyl)-6-methyl-2H-benzotriazol-5-yl]-4-propoxybenzamide
CID 4552294
1-(3-bromo-4-methoxybenzoyl)-1H-1,2,3-benzotriazole
CID 833492
3-bromo-4-ethoxy-N-{2-[3-(trifluoromethyl)phenyl]-2H-benzotriazol-5-yl}benzamide
CID 3125115
N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide
CID 842958
3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 843010
N-(2,1,3-benzothiadiazol-4-yl)-5-bromo-2-methoxybenzamide
CID 1357053
2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 1372247
3-chloro-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 5091717
3-bromo-4-methoxy-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)benzamide
CID 17219666
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1362718
3-bromo-4-ethoxy-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamide
CID 1036069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CID 4302360) is 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is CCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is GJMPMFKAWFLUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2S/c1-3-22-13-7-5-10(8-11(13)17)16(21)18-14-9(2)4-6-12-15(14)20-23-19-12/h4-8H,3H2,1-2H3,(H,18,21).
What are the key properties of 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 392.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 4302360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).