8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

C22H24N2O4S — CID 91923824

IUPAC8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C22H24N2O4S/c1-17-7-5-6-8-18(17)15-20(25)23-13-11-22(12-14-23)24(19-9-3-2-4-10-19)21(26)16-29(22,27)28/h2-10H,11-16H2,1H3
InChIKeyXEAFIBQNALPZNP-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.32
Rot. Bonds3

About 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one

8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 91923824) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID91923824
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1CC(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O
InChIInChI=1S/C22H24N2O4S/c1-17-7-5-6-8-18(17)15-20(25)23-13-11-22(12-14-23)24(19-9-3-2-4-10-19)21(26)16-29(22,27)28/h2-10H,11-16H2,1H3
InChIKeyXEAFIBQNALPZNP-UHFFFAOYSA-N
XLogP2.32
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-butanoyl-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923826
8-hex-5-ynoyl-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 146072819
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
9-[2-(2-methylphenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999107
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
4-benzyl-8-(4-methylpentanoyl)-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 155881390
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917
4-benzyl-8-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 155881246
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-(2-methylphenyl)ethanone
CID 155990898
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one (CID 91923824) is 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is Cc1ccccc1CC(=O)N1CCC2(CC1)N(c1ccccc1)C(=O)CS2(=O)=O.
What is the InChIKey of 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XEAFIBQNALPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-17-7-5-6-8-18(17)15-20(25)23-13-11-22(12-14-23)24(19-9-3-2-4-10-19)21(26)16-29(22,27)28/h2-10H,11-16H2,1H3.
What are the key properties of 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one?
8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 412.51 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91923824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).