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

C18H19N3O4S — CID 15987863

IUPAC3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C18H19N3O4S/c1-12(2)13-6-8-14(9-7-13)19-17(22)10-11-26(23,24)16-5-3-4-15-18(16)21-25-20-15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyTWMJRPOYVSCQMY-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.15
Rot. Bonds6

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

3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 15987863) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID15987863
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C18H19N3O4S/c1-12(2)13-6-8-14(9-7-13)19-17(22)10-11-26(23,24)16-5-3-4-15-18(16)21-25-20-15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyTWMJRPOYVSCQMY-UHFFFAOYSA-N
XLogP3.15
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide (CID 15987863) is 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is TWMJRPOYVSCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12(2)13-6-8-14(9-7-13)19-17(22)10-11-26(23,24)16-5-3-4-15-18(16)21-25-20-15/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide?
3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 373.43 g/mol, XLogP of 3.15, 6 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-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 15987863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).