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

C16H15N3O2S — CID 711919

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc3nsnc23)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-6-7-14(11(2)8-10)21-9-15(20)17-12-4-3-5-13-16(12)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyKCMIOECDPHLACM-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.33
Rot. Bonds4

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

N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 711919) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID711919
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc3nsnc23)c(C)c1
InChIInChI=1S/C16H15N3O2S/c1-10-6-7-14(11(2)8-10)21-9-15(20)17-12-4-3-5-13-16(12)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyKCMIOECDPHLACM-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1109840
N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 138115403
N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 2872381
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)-2-(2-methylphenoxy)acetamide
CID 711915
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 3373903
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide
CID 4908066
N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155517943
N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155538860
2-(4-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
CID 1111951
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
CID 3160957

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide (CID 711919) is N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc3nsnc23)c(C)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is KCMIOECDPHLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-6-7-14(11(2)8-10)21-9-15(20)17-12-4-3-5-13-16(12)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.33, 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-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 711919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).