N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

C24H27N3OS — CID 22428713

About N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 22428713) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• PubChem CID: 22428713
• Molecular Formula: C24H27N3OS
• Molecular Weight: 405.57 g/mol
• Exact Mass: 405.19
• IUPAC Name: N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)c(C)c1
• InChI: InChI=1S/C24H27N3OS/c1-17-11-12-20(18(2)15-17)25-21(28)16-29-23-22(19-9-5-3-6-10-19)26-24(27-23)13-7-4-8-14-24/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,25,28)
• InChIKey: XUNVNGVVGNRYGN-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.57
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (CID 22428713) is N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)c(C)c1.

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

The InChIKey is XUNVNGVVGNRYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-17-11-12-20(18(2)15-17)25-21(28)16-29-23-22(19-9-5-3-6-10-19)26-24(27-23)13-7-4-8-14-24/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,25,28).

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

N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 405.57 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 22428713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).