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

C33H35F6N5O6S3 — CID 159303314

About 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

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 (PubChem CID 159303314) has the molecular formula C33H35F6N5O6S3 and a molecular weight of 807.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159303314
• Molecular Formula: C33H35F6N5O6S3
• Molecular Weight: 807.86 g/mol
• Exact Mass: 807.17
• IUPAC Name: 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
• SMILES: CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccnc2)n1
• InChI: InChI=1S/C17H14F6N2O3S.C16H21N3O3S2/c1-15(2,14(26)25-13-8-5-11(9-24-13)17(21,22)23)29(27,28)12-6-3-10(4-7-12)16(18,19)20;1-15(2,3)12-10-23-14(18-12)19-13(20)16(4,5)24(21,22)11-7-6-8-17-9-11/h3-9H,1-2H3,(H,24,25,26);6-10H,1-5H3,(H,18,19,20)
• InChIKey: LBPHGXHXRWAXKL-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 165.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.86
LogP ≤ 5	7.34
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-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccnc2)n1.

What is the InChIKey of 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?

The InChIKey is LBPHGXHXRWAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3S.C16H21N3O3S2/c1-15(2,14(26)25-13-8-5-11(9-24-13)17(21,22)23)29(27,28)12-6-3-10(4-7-12)16(18,19)20;1-15(2,3)12-10-23-14(18-12)19-13(20)16(4,5)24(21,22)11-7-6-8-17-9-11/h3-9H,1-2H3,(H,24,25,26);6-10H,1-5H3,(H,18,19,20).

What are the key properties of 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?

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 has a molecular weight of 807.86 g/mol, XLogP of 7.34, 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-pyridin-3-ylsulfonylpropanamide;2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 159303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).