N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C24H27F3N4O4S — CID 4555091

About N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 4555091) has the molecular formula C24H27F3N4O4S and a molecular weight of 524.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 4555091
• Molecular Formula: C24H27F3N4O4S
• Molecular Weight: 524.57 g/mol
• Exact Mass: 524.17
• IUPAC Name: N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O
• InChI: InChI=1S/C24H27F3N4O4S/c1-28(2)21(32)16-29-17-31(19-8-4-3-5-9-19)23(22(29)33)11-13-30(14-12-23)36(34,35)20-10-6-7-18(15-20)24(25,26)27/h3-10,15H,11-14,16-17H2,1-2H3
• InChIKey: FYHLVJPTGMEQFP-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 81.24 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.57
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 4555091) is N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O.

What is the InChIKey of N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is FYHLVJPTGMEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O4S/c1-28(2)21(32)16-29-17-31(19-8-4-3-5-9-19)23(22(29)33)11-13-30(14-12-23)36(34,35)20-10-6-7-18(15-20)24(25,26)27/h3-10,15H,11-14,16-17H2,1-2H3.

What are the key properties of N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 524.57 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 4555091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).