N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide

C22H27N3O3S — CID 10740469

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3
InChIKeySXJGXXYFAALWIZ-UHFFFAOYSA-N
MW413.54 g/mol
LogP5.00
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10740469) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10740469
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3
InChIKeySXJGXXYFAALWIZ-UHFFFAOYSA-N
XLogP5.00
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide 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 N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10740469) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is SXJGXXYFAALWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-14(2)12-17-10-11-18(20(13-17)23-5)19-8-6-7-9-21(19)29(26,27)25-22-15(3)16(4)24-28-22/h6-11,13-14,23,25H,12H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(methylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10740469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).