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

C34H41N3O5S — CID 59998982

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

2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (PubChem CID 59998982) has the molecular formula C34H41N3O5S and a molecular weight of 603.79 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
• PubChem CID: 59998982
• Molecular Formula: C34H41N3O5S
• Molecular Weight: 603.79 g/mol
• Exact Mass: 603.28
• IUPAC Name: 2-(4-methoxyphenyl)-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)cc1
• InChI: InChI=1S/C34H41N3O5S/c1-42-29-12-8-26(9-13-29)24-32(38)35-31(28-6-4-3-5-7-28)16-20-36-21-17-34(18-22-36)19-23-37(33(34)39)25-27-10-14-30(15-11-27)43(2,40)41/h3-15,31H,16-25H2,1-2H3,(H,35,38)
• InChIKey: QMCFMWLFUVGGTI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.79
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide (CID 59998982) is 2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-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)cc1.

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

The InChIKey is QMCFMWLFUVGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O5S/c1-42-29-12-8-26(9-13-29)24-32(38)35-31(28-6-4-3-5-7-28)16-20-36-21-17-34(18-22-36)19-23-37(33(34)39)25-27-10-14-30(15-11-27)43(2,40)41/h3-15,31H,16-25H2,1-2H3,(H,35,38).

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

2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide has a molecular weight of 603.79 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide is sourced from PubChem (CID 59998982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).