N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C15H18N2O3S2 — CID 27805496

IUPACN-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeySGADREYQPNOANN-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.95
Rot. Bonds5

About N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 27805496) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID27805496
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeySGADREYQPNOANN-UHFFFAOYSA-N
XLogP2.95
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)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-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 27805496) is N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)C(=O)CN(c1nccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SGADREYQPNOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-15(2,3)13(18)11-17(14-16-9-10-21-14)22(19,20)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 338.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 27805496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).