N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide

C15H13N3O2S — CID 842958

IUPACN-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-20-11-8-6-10(7-9-11)15(19)16-12-4-3-5-13-14(12)18-21-17-13/h3-9H,2H2,1H3,(H,16,19)
InChIKeyACJPVZJFTLNFKU-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.34
Rot. Bonds4

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

N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide (PubChem CID 842958) 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)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide
PubChem CID842958
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-20-11-8-6-10(7-9-11)15(19)16-12-4-3-5-13-14(12)18-21-17-13/h3-9H,2H2,1H3,(H,16,19)
InChIKeyACJPVZJFTLNFKU-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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)-4-ethoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide (CID 842958) is N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide?
The InChIKey is ACJPVZJFTLNFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-11-8-6-10(7-9-11)15(19)16-12-4-3-5-13-14(12)18-21-17-13/h3-9H,2H2,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide?
N-(2,1,3-benzothiadiazol-4-yl)-4-ethoxybenzamide has a molecular weight of 299.36 g/mol, XLogP of 3.34, 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)-4-ethoxybenzamide is sourced from PubChem (CID 842958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).