N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

C22H23FN4OS — CID 50744637

About N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 50744637) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• PubChem CID: 50744637
• Molecular Formula: C22H23FN4OS
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• SMILES: CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccccc1)=N2
• InChI: InChI=1S/C22H23FN4OS/c1-27-13-11-22(12-14-27)25-20(16-7-3-2-4-8-16)21(26-22)29-15-19(28)24-18-10-6-5-9-17(18)23/h2-10H,11-15H2,1H3,(H,24,28)
• InChIKey: YSQZXUIDYDGLIO-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 57.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (CID 50744637) is N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccccc1)=N2.

What is the InChIKey of N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide?

The InChIKey is YSQZXUIDYDGLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-27-13-11-22(12-14-27)25-20(16-7-3-2-4-8-16)21(26-22)29-15-19(28)24-18-10-6-5-9-17(18)23/h2-10H,11-15H2,1H3,(H,24,28).

What are the key properties of N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide?

N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 50744637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).