N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H30N4O5S — CID 55894513

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O5S/c1-14-7-5-6-12-21(14)19(27)25(20(28)23-21)13-18(26)22-15(2)16-8-10-17(11-9-16)31(29,30)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,22,26)(H,23,28)
InChIKeyDMYGJIIDEWGRDR-UHFFFAOYSA-N
MW450.56 g/mol
LogP1.61
Rot. Bonds6

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55894513) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55894513
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H30N4O5S/c1-14-7-5-6-12-21(14)19(27)25(20(28)23-21)13-18(26)22-15(2)16-8-10-17(11-9-16)31(29,30)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,22,26)(H,23,28)
InChIKeyDMYGJIIDEWGRDR-UHFFFAOYSA-N
XLogP1.61
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55595904
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 8571968
N-[(1R)-1-[4-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9474372
2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanoic acid
CID 119348552
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55894643
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7265379
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55894513) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is DMYGJIIDEWGRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-14-7-5-6-12-21(14)19(27)25(20(28)23-21)13-18(26)22-15(2)16-8-10-17(11-9-16)31(29,30)24(3)4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,22,26)(H,23,28).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 450.56 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55894513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).