4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C24H28ClN3O3S — CID 3351933

About 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3351933) has the molecular formula C24H28ClN3O3S and a molecular weight of 474.03 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 3351933
• Molecular Formula: C24H28ClN3O3S
• Molecular Weight: 474.03 g/mol
• Exact Mass: 473.15
• IUPAC Name: 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CCc1cccc(NC(=O)N2CCC3(CC2)SCCN3C(=O)COc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C24H28ClN3O3S/c1-2-18-4-3-5-20(16-18)26-23(30)27-12-10-24(11-13-27)28(14-15-32-24)22(29)17-31-21-8-6-19(25)7-9-21/h3-9,16H,2,10-15,17H2,1H3,(H,26,30)
• InChIKey: JWXMTRJUHWBESK-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.03
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 3351933) is 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCc1cccc(NC(=O)N2CCC3(CC2)SCCN3C(=O)COc2ccc(Cl)cc2)c1.

What is the InChIKey of 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is JWXMTRJUHWBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3S/c1-2-18-4-3-5-20(16-18)26-23(30)27-12-10-24(11-13-27)28(14-15-32-24)22(29)17-31-21-8-6-19(25)7-9-21/h3-9,16H,2,10-15,17H2,1H3,(H,26,30).

What are the key properties of 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?

4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 474.03 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-chlorophenoxy)acetyl]-N-(3-ethylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3351933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).