N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

C18H23N3O3S2 — CID 91938462

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1
InChIInChI=1S/C18H23N3O3S2/c1-17(2,3)14-10-25-16(20-14)21-26(23,24)11-6-7-13-12(8-11)18(4,5)9-15(22)19-13/h6-8,10H,9H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyRYHGXFRJWLYYBA-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.86
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (PubChem CID 91938462) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
PubChem CID91938462
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1
InChIInChI=1S/C18H23N3O3S2/c1-17(2,3)14-10-25-16(20-14)21-26(23,24)11-6-7-13-12(8-11)18(4,5)9-15(22)19-13/h6-8,10H,9H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyRYHGXFRJWLYYBA-UHFFFAOYSA-N
XLogP3.86
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61499926
4,4-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361115
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
CID 4527165
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91958469
3-[(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)sulfonylamino]benzamide
CID 91938558
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 87757519
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158728
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide (CID 91938462) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
The InChIKey is RYHGXFRJWLYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-17(2,3)14-10-25-16(20-14)21-26(23,24)11-6-7-13-12(8-11)18(4,5)9-15(22)19-13/h6-8,10H,9H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide has a molecular weight of 393.53 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 91938462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).