N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C24H26F3N3O2S — CID 3391002

About N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3391002) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 3391002
• Molecular Formula: C24H26F3N3O2S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.17
• IUPAC Name: N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CCc1ccc(NC(=O)N2CCC3(CC2)SCCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C24H26F3N3O2S/c1-2-17-3-9-20(10-4-17)28-22(32)29-13-11-23(12-14-29)30(15-16-33-23)21(31)18-5-7-19(8-6-18)24(25,26)27/h3-10H,2,11-16H2,1H3,(H,28,32)
• InChIKey: FZHKWVSEVYLJQQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 3391002) is N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCc1ccc(NC(=O)N2CCC3(CC2)SCCN3C(=O)c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is FZHKWVSEVYLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c1-2-17-3-9-20(10-4-17)28-22(32)29-13-11-23(12-14-29)30(15-16-33-23)21(31)18-5-7-19(8-6-18)24(25,26)27/h3-10H,2,11-16H2,1H3,(H,28,32).

What are the key properties of N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3391002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).