N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide

C18H24N2O3S2 — CID 59662671

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H24N2O3S2/c1-12-9-7-8-10-13(12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4/h7-11H,1-6H3,(H,19,20,21)
InChIKeyDBDXGKANHSDWBW-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.94
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide (PubChem CID 59662671) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
PubChem CID59662671
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C18H24N2O3S2/c1-12-9-7-8-10-13(12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4/h7-11H,1-6H3,(H,19,20,21)
InChIKeyDBDXGKANHSDWBW-UHFFFAOYSA-N
XLogP3.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide
CID 159459316
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
CID 59662703
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(ethylsulfamoyl)-2-methylpropanamide
CID 87553974
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide;N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 87602439
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 161100841
2-(benzenesulfonyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide;2-(benzenesulfonyl)-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 157281303
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159303314
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 24648453
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-tert-butylsulfonyl-2-methylpropanamide;2-tert-butylsulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 160651237

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide (CID 59662671) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide is Cc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
The InChIKey is DBDXGKANHSDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-12-9-7-8-10-13(12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4/h7-11H,1-6H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide has a molecular weight of 380.54 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 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)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 59662671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).