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

C27H36ClN3O4S — CID 69373335

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

N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride (PubChem CID 69373335) has the molecular formula C27H36ClN3O4S and a molecular weight of 534.12 g/mol. Its IUPAC name is N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
• PubChem CID: 69373335
• Molecular Formula: C27H36ClN3O4S
• Molecular Weight: 534.12 g/mol
• Exact Mass: 533.21
• IUPAC Name: N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
• SMILES: CC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1.Cl
• InChI: InChI=1S/C27H35N3O4S.ClH/c1-21(31)28-25(23-6-4-3-5-7-23)12-16-29-17-13-27(14-18-29)15-19-30(26(27)32)20-22-8-10-24(11-9-22)35(2,33)34;/h3-11,25H,12-20H2,1-2H3,(H,28,31);1H
• InChIKey: RZQCFAIOJSBHQA-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.12
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride (CID 69373335) is N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride.

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

The canonical SMILES for N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride is CC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1.Cl.

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

The InChIKey is RZQCFAIOJSBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S.ClH/c1-21(31)28-25(23-6-4-3-5-7-23)12-16-29-17-13-27(14-18-29)15-19-30(26(27)32)20-22-8-10-24(11-9-22)35(2,33)34;/h3-11,25H,12-20H2,1-2H3,(H,28,31);1H.

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

N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride has a molecular weight of 534.12 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 69373335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).