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

C21H30N4O5S — CID 3899374

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C21H30N4O5S/c1-4-24(5-2)31(29,30)17-8-6-7-16(13-17)22-18(26)14-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyBQMXWQHHSVGMPV-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.16
Rot. Bonds7

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

N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 3899374) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID3899374
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1
InChIInChI=1S/C21H30N4O5S/c1-4-24(5-2)31(29,30)17-8-6-7-16(13-17)22-18(26)14-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,22,26)(H,23,28)
InChIKeyBQMXWQHHSVGMPV-UHFFFAOYSA-N
XLogP2.16
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.16
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

N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 18090559
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420
N-[3-(diethylsulfamoyl)phenyl]-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55304406
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4843996
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-sulfamoylphenyl)acetamide
CID 7170161
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55308756
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 55510760
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 47093750
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
N-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 3899374) is N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is BQMXWQHHSVGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-4-24(5-2)31(29,30)17-8-6-7-16(13-17)22-18(26)14-25-19(27)21(23-20(25)28)11-9-15(3)10-12-21/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,22,26)(H,23,28).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 450.56 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 3899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).