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

C23H29N3O3S — CID 10741151

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3
InChIKeyUWRIVGXQCAQQLS-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.39
Rot. Bonds8

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (PubChem CID 10741151) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
PubChem CID10741151
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide
SMILESCCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
InChIInChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3
InChIKeyUWRIVGXQCAQQLS-UHFFFAOYSA-N
XLogP5.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-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-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide (CID 10741151) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is CCNc1cc(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-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
The InChIKey is UWRIVGXQCAQQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-6-24-21-14-18(13-15(2)3)11-12-19(21)20-9-7-8-10-22(20)30(27,28)26-23-16(4)17(5)25-29-23/h7-12,14-15,24,26H,6,13H2,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide has a molecular weight of 427.57 g/mol, XLogP of 5.39, 8 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-(ethylamino)-4-(2-methylpropyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10741151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).