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

C15H12BrN3O2S — CID 1372247

IUPAC2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c1-9-2-7-12-15(19-22-18-12)14(9)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyLIGYKTQROZBXTO-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.78
Rot. Bonds4

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

2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (PubChem CID 1372247) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
PubChem CID1372247
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O2S/c1-9-2-7-12-15(19-22-18-12)14(9)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyLIGYKTQROZBXTO-UHFFFAOYSA-N
XLogP3.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide (CID 1372247) is 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is Cc1ccc2nsnc2c1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
The InChIKey is LIGYKTQROZBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c1-9-2-7-12-15(19-22-18-12)14(9)17-13(20)8-21-11-5-3-10(16)4-6-11/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide?
2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide has a molecular weight of 378.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide is sourced from PubChem (CID 1372247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).