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

C16H15N3O2S — CID 4908066

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)ccc3nsnc23)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-3-6-12(7-4-10)21-9-14(20)17-15-11(2)5-8-13-16(15)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyUWXGOXRRNYCBNO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.33
Rot. Bonds4

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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 4908066) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide
PubChem CID4908066
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2c(C)ccc3nsnc23)cc1
InChIInChI=1S/C16H15N3O2S/c1-10-3-6-12(7-4-10)21-9-14(20)17-15-11(2)5-8-13-16(15)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyUWXGOXRRNYCBNO-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

N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
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-(2,1,3-benzothiadiazol-4-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 711919
N-[2-(4-ethylphenyl)-2H-benzotriazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 3373903
N-(2-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155517943
N-(3-methylbenzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155538860
N-[2-(4-ethoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]propanamide
CID 806738

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide (CID 4908066) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2c(C)ccc3nsnc23)cc1.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is UWXGOXRRNYCBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-3-6-12(7-4-10)21-9-14(20)17-15-11(2)5-8-13-16(15)19-22-18-13/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)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-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 4908066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).