N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

C23H25N3OS — CID 53490550

About N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide

N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 53490550) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
• PubChem CID: 53490550
• Molecular Formula: C23H25N3OS
• Molecular Weight: 391.54 g/mol
• Exact Mass: 391.17
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1
• InChI: InChI=1S/C23H25N3OS/c1-16-9-8-10-17(2)20(16)24-19(27)15-28-22-21(18-11-4-3-5-12-18)25-23(26-22)13-6-7-14-23/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,24,27)
• InChIKey: UJXOILPTMKVFIS-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.54
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide (CID 53490550) is N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

The InChIKey is UJXOILPTMKVFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-16-9-8-10-17(2)20(16)24-19(27)15-28-22-21(18-11-4-3-5-12-18)25-23(26-22)13-6-7-14-23/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,24,27).

What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide?

N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 391.54 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 53490550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).