2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

C35H43N3O6S — CID 59998884

About 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (PubChem CID 59998884) has the molecular formula C35H43N3O6S and a molecular weight of 633.81 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
• PubChem CID: 59998884
• Molecular Formula: C35H43N3O6S
• Molecular Weight: 633.81 g/mol
• Exact Mass: 633.29
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
• SMILES: COc1ccc(CC(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1OC
• InChI: InChI=1S/C35H43N3O6S/c1-43-31-14-11-27(23-32(31)44-2)24-33(39)36-30(28-7-5-4-6-8-28)15-19-37-20-16-35(17-21-37)18-22-38(34(35)40)25-26-9-12-29(13-10-26)45(3,41)42/h4-14,23,30H,15-22,24-25H2,1-3H3,(H,36,39)
• InChIKey: RZXWADBQOLJPIO-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.81
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (CID 59998884) is 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is COc1ccc(CC(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The InChIKey is RZXWADBQOLJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O6S/c1-43-31-14-11-27(23-32(31)44-2)24-33(39)36-30(28-7-5-4-6-8-28)15-19-37-20-16-35(17-21-37)18-22-38(34(35)40)25-26-9-12-29(13-10-26)45(3,41)42/h4-14,23,30H,15-22,24-25H2,1-3H3,(H,36,39).

What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide has a molecular weight of 633.81 g/mol, XLogP of 4.41, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is sourced from PubChem (CID 59998884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).