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

C28H37N3O5S — CID 59998838

IUPACethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1
InChIInChI=1S/C28H37N3O5S/c1-3-36-27(33)29-25(23-7-5-4-6-8-23)13-17-30-18-14-28(15-19-30)16-20-31(26(28)32)21-22-9-11-24(12-10-22)37(2,34)35/h4-12,25H,3,13-21H2,1-2H3,(H,29,33)
InChIKeyHLBXAXAHYMPDQY-UHFFFAOYSA-N
MW527.69 g/mol
LogP3.78
Rot. Bonds9

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

ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate (PubChem CID 59998838) has the molecular formula C28H37N3O5S and a molecular weight of 527.69 g/mol. Its IUPAC name is ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
PubChem CID59998838
Molecular FormulaC28H37N3O5S
Molecular Weight527.69 g/mol
Exact Mass527.25
IUPAC Nameethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
SMILESCCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1
InChIInChI=1S/C28H37N3O5S/c1-3-36-27(33)29-25(23-7-5-4-6-8-23)13-17-30-18-14-28(15-19-30)16-20-31(26(28)32)21-22-9-11-24(12-10-22)37(2,34)35/h4-12,25H,3,13-21H2,1-2H3,(H,29,33)
InChIKeyHLBXAXAHYMPDQY-UHFFFAOYSA-N
XLogP3.78
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.69
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate
CID 59999024
N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide;hydrochloride
CID 69373335
2,2-dimethyl-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]propanamide
CID 72618105
2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998982
N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]pyridine-4-carboxamide
CID 59998921
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
3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide
CID 59998752
methyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]carbamate
CID 59998974
N-[3-[2-[(4-ethoxyphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
CID 72618166
N-[3-[2-[(4-chlorophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-methylpropanamide
CID 72618129
cyclohexyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-pyridin-2-ylpropyl]carbamate
CID 59999309
2-methoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-thiophen-2-ylpropyl]acetamide
CID 59999038

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate?
The IUPAC name of ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate (CID 59998838) is ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate?
The canonical SMILES for ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate is CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1.
What is the InChIKey of ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate?
The InChIKey is HLBXAXAHYMPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5S/c1-3-36-27(33)29-25(23-7-5-4-6-8-23)13-17-30-18-14-28(15-19-30)16-20-31(26(28)32)21-22-9-11-24(12-10-22)37(2,34)35/h4-12,25H,3,13-21H2,1-2H3,(H,29,33).
What are the key properties of ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate?
ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate has a molecular weight of 527.69 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]carbamate is sourced from PubChem (CID 59998838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).