N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C14H18N2O3S2 — CID 60712759

IUPACN-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-4-9(2)11-5-7-12(8-6-11)16-21(18,19)13-10(3)15-14(17)20-13/h5-9,16H,4H2,1-3H3,(H,15,17)
InChIKeyCEIRGSIEMOCLIY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.06
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60712759) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60712759
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCCC(C)c1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1
InChIInChI=1S/C14H18N2O3S2/c1-4-9(2)11-5-7-12(8-6-11)16-21(18,19)13-10(3)15-14(17)20-13/h5-9,16H,4H2,1-3H3,(H,15,17)
InChIKeyCEIRGSIEMOCLIY-UHFFFAOYSA-N
XLogP3.06
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54884085
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712816
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54955518
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 65345444

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60712759) is N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is CCC(C)c1ccc(NS(=O)(=O)c2sc(=O)[nH]c2C)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CEIRGSIEMOCLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-4-9(2)11-5-7-12(8-6-11)16-21(18,19)13-10(3)15-14(17)20-13/h5-9,16H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 326.44 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60712759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).