2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide

C24H34N4O5S — CID 55972396

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(S(=O)(=O)NC3CC3)cc1)C2=O
InChIInChI=1S/C24H34N4O5S/c1-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)15-20(29)25-14-16-4-8-19(9-5-16)34(32,33)27-18-6-7-18/h4-5,8-9,17-18,27H,6-7,10-15H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyLJOHADXJWUPKJD-UHFFFAOYSA-N
MW490.63 g/mol
LogP2.27
Rot. Bonds7

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 55972396) has the molecular formula C24H34N4O5S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide
PubChem CID55972396
Molecular FormulaC24H34N4O5S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(S(=O)(=O)NC3CC3)cc1)C2=O
InChIInChI=1S/C24H34N4O5S/c1-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)15-20(29)25-14-16-4-8-19(9-5-16)34(32,33)27-18-6-7-18/h4-5,8-9,17-18,27H,6-7,10-15H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyLJOHADXJWUPKJD-UHFFFAOYSA-N
XLogP2.27
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86951518
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
CID 55374449
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 36820556

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide (CID 55972396) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(S(=O)(=O)NC3CC3)cc1)C2=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is LJOHADXJWUPKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5S/c1-23(2,3)17-10-12-24(13-11-17)21(30)28(22(31)26-24)15-20(29)25-14-16-4-8-19(9-5-16)34(32,33)27-18-6-7-18/h4-5,8-9,17-18,27H,6-7,10-15H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 490.63 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55972396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).