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

C17H17N3O4S — CID 3245284

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1
InChIInChI=1S/C17H17N3O4S/c21-16(18-11-9-13-5-2-1-3-6-13)10-12-25(22,23)15-8-4-7-14-17(15)20-24-19-14/h1-8H,9-12H2,(H,18,21)
InChIKeyLYBHAFHRSBZPDV-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.75
Rot. Bonds7

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

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide (PubChem CID 3245284) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide
PubChem CID3245284
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1
InChIInChI=1S/C17H17N3O4S/c21-16(18-11-9-13-5-2-1-3-6-13)10-12-25(22,23)15-8-4-7-14-17(15)20-24-19-14/h1-8H,9-12H2,(H,18,21)
InChIKeyLYBHAFHRSBZPDV-UHFFFAOYSA-N
XLogP1.75
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide (CID 3245284) is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide is O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide?
The InChIKey is LYBHAFHRSBZPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-16(18-11-9-13-5-2-1-3-6-13)10-12-25(22,23)15-8-4-7-14-17(15)20-24-19-14/h1-8H,9-12H2,(H,18,21).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide has a molecular weight of 359.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 3245284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).