2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one

C22H26N2O4S — CID 71771055

IUPAC2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-28-19-7-9-20(10-8-19)29(26,27)24-15-12-22(13-16-24)11-14-23(21(22)25)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3
InChIKeyVYLTVXWWGQLFMV-UHFFFAOYSA-N
MW414.53 g/mol
LogP2.90
Rot. Bonds5

About 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one

2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 71771055) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID71771055
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-28-19-7-9-20(10-8-19)29(26,27)24-15-12-22(13-16-24)11-14-23(21(22)25)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3
InChIKeyVYLTVXWWGQLFMV-UHFFFAOYSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one 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

7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
8-(4-methoxyphenyl)sulfonyl-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109566
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
8-[(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 67371108
1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
2-(4-methoxyphenyl)-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]acetamide
CID 59998982
1-benzyl-4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997864
4-[[1-oxo-2-[(4-phenoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-9-yl]sulfonyl]benzonitrile
CID 23135248
2-[(4-methoxyphenyl)methyl]-8-[(4-phenylpyrrolidin-3-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 67368996
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one (CID 71771055) is 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one is COc1ccc(S(=O)(=O)N2CCC3(CCN(Cc4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VYLTVXWWGQLFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-28-19-7-9-20(10-8-19)29(26,27)24-15-12-22(13-16-24)11-14-23(21(22)25)17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3.
What are the key properties of 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one?
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 414.53 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 71771055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).