N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C33H39F3N4O9S3 — CID 159006128

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 159006128) has the molecular formula C33H39F3N4O9S3 and a molecular weight of 788.89 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 159006128
• Molecular Formula: C33H39F3N4O9S3
• Molecular Weight: 788.89 g/mol
• Exact Mass: 788.18
• IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C(F)(F)F)cs2)cc1
• InChI: InChI=1S/C18H24N2O5S.C15H15F3N2O4S2/c1-17(2,3)14-11-15(25-20-14)19-16(21)18(4,5)26(22,23)13-9-7-12(24-6)8-10-13;1-14(2,26(22,23)10-6-4-9(24-3)5-7-10)12(21)20-13-19-11(8-25-13)15(16,17)18/h7-11H,1-6H3,(H,19,21);4-8H,1-3H3,(H,19,20,21)
• InChIKey: JRYCOCXHZDJMMW-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 183.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.89
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 159006128) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C(F)(F)F)cs2)cc1.

What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is JRYCOCXHZDJMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S.C15H15F3N2O4S2/c1-17(2,3)14-11-15(25-20-14)19-16(21)18(4,5)26(22,23)13-9-7-12(24-6)8-10-13;1-14(2,26(22,23)10-6-4-9(24-3)5-7-10)12(21)20-13-19-11(8-25-13)15(16,17)18/h7-11H,1-6H3,(H,19,21);4-8H,1-3H3,(H,19,20,21).

What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 788.89 g/mol, XLogP of 6.53, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 159006128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).