2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

C24H25F3N4OS — CID 71843712

About 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (PubChem CID 71843712) has the molecular formula C24H25F3N4OS and a molecular weight of 474.55 g/mol. Its IUPAC name is 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.

Molecular Properties

• Compound Name: 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
• PubChem CID: 71843712
• Molecular Formula: C24H25F3N4OS
• Molecular Weight: 474.55 g/mol
• Exact Mass: 474.17
• IUPAC Name: 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
• SMILES: CCCSC1=NC2(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)N=C1c1ccccc1
• InChI: InChI=1S/C24H25F3N4OS/c1-2-16-33-21-20(17-8-4-3-5-9-17)29-23(30-21)12-14-31(15-13-23)22(32)28-19-11-7-6-10-18(19)24(25,26)27/h3-11H,2,12-16H2,1H3,(H,28,32)
• InChIKey: ZHXXAYLRVQRLRU-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 57.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.55
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?

The IUPAC name of 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide (CID 71843712) is 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide.

What is the SMILES notation for 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?

The canonical SMILES for 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is CCCSC1=NC2(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)N=C1c1ccccc1.

What is the InChIKey of 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?

The InChIKey is ZHXXAYLRVQRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4OS/c1-2-16-33-21-20(17-8-4-3-5-9-17)29-23(30-21)12-14-31(15-13-23)22(32)28-19-11-7-6-10-18(19)24(25,26)27/h3-11H,2,12-16H2,1H3,(H,28,32).

What are the key properties of 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide?

2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-3-propylsulfanyl-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide is sourced from PubChem (CID 71843712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).