2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H30N6O5S — CID 24533737

IUPAC2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H30N6O5S/c1-4-21-15-9-8-14(32(30,31)25(2)3)12-16(15)22-13-17(27)24-26-18(28)20(23-19(26)29)10-6-5-7-11-20/h8-9,12,21-22H,4-7,10-11,13H2,1-3H3,(H,23,29)(H,24,27)
InChIKeyHEVMBWLPLVFGBC-UHFFFAOYSA-N
MW466.56 g/mol
LogP1.07
Rot. Bonds8

About 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24533737) has the molecular formula C20H30N6O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID24533737
Molecular FormulaC20H30N6O5S
Molecular Weight466.56 g/mol
Exact Mass466.20
IUPAC Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H30N6O5S/c1-4-21-15-9-8-14(32(30,31)25(2)3)12-16(15)22-13-17(27)24-26-18(28)20(23-19(26)29)10-6-5-7-11-20/h8-9,12,21-22H,4-7,10-11,13H2,1-3H3,(H,23,29)(H,24,27)
InChIKeyHEVMBWLPLVFGBC-UHFFFAOYSA-N
XLogP1.07
TPSA139.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27056879
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27532874
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
CID 27056903
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3962931
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24533737) is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is HEVMBWLPLVFGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O5S/c1-4-21-15-9-8-14(32(30,31)25(2)3)12-16(15)22-13-17(27)24-26-18(28)20(23-19(26)29)10-6-5-7-11-20/h8-9,12,21-22H,4-7,10-11,13H2,1-3H3,(H,23,29)(H,24,27).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 466.56 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24533737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).