N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide

C15H13N3O2S — CID 26823552

IUPACN-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-12-5-3-4-10(8-12)15(19)16-11-6-7-13-14(9-11)18-21-17-13/h3-9H,2H2,1H3,(H,16,19)
InChIKeyHWKIYXRTJSBRTJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.34
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide

N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide (PubChem CID 26823552) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide
PubChem CID26823552
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1
InChIInChI=1S/C15H13N3O2S/c1-2-20-12-5-3-4-10(8-12)15(19)16-11-6-7-13-14(9-11)18-21-17-13/h3-9H,2H2,1H3,(H,16,19)
InChIKeyHWKIYXRTJSBRTJ-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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Related Compounds

N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
3,5-bis[(3-ethoxybenzoyl)amino]benzoic acid
CID 1364896
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide (CID 26823552) is N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc3nsnc3c2)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide?
The InChIKey is HWKIYXRTJSBRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-12-5-3-4-10(8-12)15(19)16-11-6-7-13-14(9-11)18-21-17-13/h3-9H,2H2,1H3,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-3-ethoxybenzamide?
N-(2,1,3-benzothiadiazol-5-yl)-3-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-5-yl)-3-ethoxybenzamide is sourced from PubChem (CID 26823552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).