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

C15H13N3O2S — CID 3160957

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-10-7-8-12-15(18-21-17-12)14(10)16-13(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)
InChIKeyKIGAUPSQEHBELY-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.02
Rot. Bonds4

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

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide (PubChem CID 3160957) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
PubChem CID3160957
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
SMILESCc1ccc2nsnc2c1NC(=O)COc1ccccc1
InChIInChI=1S/C15H13N3O2S/c1-10-7-8-12-15(18-21-17-12)14(10)16-13(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)
InChIKeyKIGAUPSQEHBELY-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-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide (CID 3160957) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide is Cc1ccc2nsnc2c1NC(=O)COc1ccccc1.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The InChIKey is KIGAUPSQEHBELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-10-7-8-12-15(18-21-17-12)14(10)16-13(19)9-20-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide 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-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 3160957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).