1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone

C23H24Cl2N2O3S — CID 3671261

About 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone

1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone (PubChem CID 3671261) has the molecular formula C23H24Cl2N2O3S and a molecular weight of 479.43 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone.

Molecular Properties

• Compound Name: 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
• PubChem CID: 3671261
• Molecular Formula: C23H24Cl2N2O3S
• Molecular Weight: 479.43 g/mol
• Exact Mass: 478.09
• IUPAC Name: 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone
• SMILES: O=C(COCc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C23H24Cl2N2O3S/c24-18-6-7-19(20(25)14-18)22(29)27-12-13-31-23(27)8-10-26(11-9-23)21(28)16-30-15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2
• InChIKey: XWQZWNRYCQKBHA-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.43
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?

The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone (CID 3671261) is 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone.

What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?

The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCC2(CC1)SCCN2C(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?

The InChIKey is XWQZWNRYCQKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3S/c24-18-6-7-19(20(25)14-18)22(29)27-12-13-31-23(27)8-10-26(11-9-23)21(28)16-30-15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2.

What are the key properties of 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone?

1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone has a molecular weight of 479.43 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,4-dichlorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 3671261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).