3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide

C17H17N3O5S — CID 3237592

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H17N3O5S/c1-2-24-14-8-4-3-6-12(14)18-16(21)10-11-26(22,23)15-9-5-7-13-17(15)20-25-19-13/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyGJRSNEDCGWWUBJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.42
Rot. Bonds7

About 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide (PubChem CID 3237592) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide
PubChem CID3237592
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C17H17N3O5S/c1-2-24-14-8-4-3-6-12(14)18-16(21)10-11-26(22,23)15-9-5-7-13-17(15)20-25-19-13/h3-9H,2,10-11H2,1H3,(H,18,21)
InChIKeyGJRSNEDCGWWUBJ-UHFFFAOYSA-N
XLogP2.42
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2-fluorophenyl)propanamide
CID 46504550
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-ethoxyphenyl)propanamide
CID 110422136
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 4243804
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(2-ethoxyphenyl)propanamide
CID 46506114
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide (CID 3237592) is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is GJRSNEDCGWWUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-2-24-14-8-4-3-6-12(14)18-16(21)10-11-26(22,23)15-9-5-7-13-17(15)20-25-19-13/h3-9H,2,10-11H2,1H3,(H,18,21).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 375.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 3237592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).