N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide

C26H29F3N4O5S — CID 66817923

About N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide

N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide (PubChem CID 66817923) has the molecular formula C26H29F3N4O5S and a molecular weight of 566.60 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide
• PubChem CID: 66817923
• Molecular Formula: C26H29F3N4O5S
• Molecular Weight: 566.60 g/mol
• Exact Mass: 566.18
• IUPAC Name: N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide
• SMILES: CC(=O)N(C)c1cccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2cccc(OC(F)(F)F)c2)NC3=O)c1C
• InChI: InChI=1S/C26H29F3N4O5S/c1-17-19(6-5-9-22(17)32(3)18(2)34)10-15-39(36,37)33-13-11-25(12-14-33)24(35)30-23(31-25)20-7-4-8-21(16-20)38-26(27,28)29/h4-9,16H,10-15H2,1-3H3,(H,30,31,35)
• InChIKey: IZRLUVWLCNBUAN-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 108.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.60
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide?

The IUPAC name of N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide (CID 66817923) is N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide.

What is the SMILES notation for N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide?

The canonical SMILES for N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide is CC(=O)N(C)c1cccc(CCS(=O)(=O)N2CCC3(CC2)N=C(c2cccc(OC(F)(F)F)c2)NC3=O)c1C.

What is the InChIKey of N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide?

The InChIKey is IZRLUVWLCNBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O5S/c1-17-19(6-5-9-22(17)32(3)18(2)34)10-15-39(36,37)33-13-11-25(12-14-33)24(35)30-23(31-25)20-7-4-8-21(16-20)38-26(27,28)29/h4-9,16H,10-15H2,1-3H3,(H,30,31,35).

What are the key properties of N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide?

N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide has a molecular weight of 566.60 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-methyl-3-[2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]acetamide is sourced from PubChem (CID 66817923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).