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

C23H23Cl2N3OS — CID 22428667

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

N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (PubChem CID 22428667) has the molecular formula C23H23Cl2N3OS and a molecular weight of 460.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• PubChem CID: 22428667
• Molecular Formula: C23H23Cl2N3OS
• Molecular Weight: 460.43 g/mol
• Exact Mass: 459.09
• IUPAC Name: N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
• SMILES: CC1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)=N2
• InChI: InChI=1S/C23H23Cl2N3OS/c1-15-9-11-23(12-10-15)27-21(16-5-3-2-4-6-16)22(28-23)30-14-20(29)26-17-7-8-18(24)19(25)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)
• InChIKey: ADEGSHCUPNNTEA-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.43
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide (CID 22428667) is N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is CC1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)=N2.

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

The InChIKey is ADEGSHCUPNNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3OS/c1-15-9-11-23(12-10-15)27-21(16-5-3-2-4-6-16)22(28-23)30-14-20(29)26-17-7-8-18(24)19(25)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,26,29).

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

N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide has a molecular weight of 460.43 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dichlorophenyl)-2-[(8-methyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 22428667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).