2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide

C19H20N4O4S — CID 155969236

IUPAC2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O4S/c1-19(2,3)17(24)20-14-9-11-15(12-10-14)28(25,26)23-18-21-16(27-22-18)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,24)(H,22,23)
InChIKeyOWRHJBQQEUQQNN-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.52
Rot. Bonds5

About 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide

2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 155969236) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID155969236
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O4S/c1-19(2,3)17(24)20-14-9-11-15(12-10-14)28(25,26)23-18-21-16(27-22-18)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,24)(H,22,23)
InChIKeyOWRHJBQQEUQQNN-UHFFFAOYSA-N
XLogP3.52
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]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 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide (CID 155969236) is 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is OWRHJBQQEUQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-19(2,3)17(24)20-14-9-11-15(12-10-14)28(25,26)23-18-21-16(27-22-18)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide?
2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 155969236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).