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

C30H52N4O7S3 — CID 160651237

About 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

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 (PubChem CID 160651237) has the molecular formula C30H52N4O7S3 and a molecular weight of 676.97 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160651237
• Molecular Formula: C30H52N4O7S3
• Molecular Weight: 676.97 g/mol
• Exact Mass: 676.30
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)n1
• InChI: InChI=1S/C15H26N2O4S.C15H26N2O3S2/c1-13(2,3)10-9-11(17-21-10)16-12(18)15(7,8)22(19,20)14(4,5)6;1-13(2,3)10-9-21-12(16-10)17-11(18)15(7,8)22(19,20)14(4,5)6/h2*9H,1-8H3,(H,16,17,18)
• InChIKey: RKLGTHTVVWRKFK-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 165.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.97
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)C(C)(C)C)n1.

What is the InChIKey of 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?

The InChIKey is RKLGTHTVVWRKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S.C15H26N2O3S2/c1-13(2,3)10-9-11(17-21-10)16-12(18)15(7,8)22(19,20)14(4,5)6;1-13(2,3)10-9-21-12(16-10)17-11(18)15(7,8)22(19,20)14(4,5)6/h2*9H,1-8H3,(H,16,17,18).

What are the key properties of 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?

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 has a molecular weight of 676.97 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160651237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).