N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide

C15H13N3O2S — CID 711915

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C15H13N3O2S/c1-10-5-2-3-8-13(10)20-9-14(19)16-11-6-4-7-12-15(11)18-21-17-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyNZHCIBGJINLBQA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.02
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 711915) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide
PubChem CID711915
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C15H13N3O2S/c1-10-5-2-3-8-13(10)20-9-14(19)16-11-6-4-7-12-15(11)18-21-17-12/h2-8H,9H2,1H3,(H,16,19)
InChIKeyNZHCIBGJINLBQA-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide (CID 711915) is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is NZHCIBGJINLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-5-2-3-8-13(10)20-9-14(19)16-11-6-4-7-12-15(11)18-21-17-12/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 299.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 711915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).