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

C36H48N4O6S4 — CID 159459316

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-(4-methylphenyl)sulfonylpropanamide

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 (PubChem CID 159459316) has the molecular formula C36H48N4O6S4 and a molecular weight of 761.07 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159459316
• Molecular Formula: C36H48N4O6S4
• Molecular Weight: 761.07 g/mol
• Exact Mass: 760.25
• IUPAC Name: 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
• SMILES: Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1.Cc1ccccc1S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(C)(C)C)cs1
• InChI: InChI=1S/2C18H24N2O3S2/c1-12-7-9-13(10-8-12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4;1-12-9-7-8-10-13(12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4/h2*7-11H,1-6H3,(H,19,20,21)
• InChIKey: LUJPVMMXCPBVPK-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 152.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.07
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name 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-(4-methylphenyl)sulfonylpropanamide?

The IUPAC name 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-(4-methylphenyl)sulfonylpropanamide (CID 159459316) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1.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;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide?

The InChIKey is LUJPVMMXCPBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24N2O3S2/c1-12-7-9-13(10-8-12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4;1-12-9-7-8-10-13(12)25(22,23)18(5,6)15(21)20-16-19-14(11-24-16)17(2,3)4/h2*7-11H,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-(4-methylphenyl)sulfonylpropanamide?

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 has a molecular weight of 761.07 g/mol, XLogP of 7.88, 8 rotatable bonds, 2 hydrogen bond donors, and 10 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;N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 159459316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).