4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

C22H30N4O5S — CID 17478998

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H30N4O5S/c1-25(17-8-4-2-5-9-17)32(30,31)18-12-10-16(11-13-18)19(27)24-26-20(28)22(23-21(26)29)14-6-3-7-15-22/h10-13,17H,2-9,14-15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYAEFPOKPZXZTCD-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.54
Rot. Bonds5

About 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (PubChem CID 17478998) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
PubChem CID17478998
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H30N4O5S/c1-25(17-8-4-2-5-9-17)32(30,31)18-12-10-16(11-13-18)19(27)24-26-20(28)22(23-21(26)29)14-6-3-7-15-22/h10-13,17H,2-9,14-15H2,1H3,(H,23,29)(H,24,27)
InChIKeyYAEFPOKPZXZTCD-UHFFFAOYSA-N
XLogP2.54
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide (CID 17478998) is 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
The InChIKey is YAEFPOKPZXZTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-25(17-8-4-2-5-9-17)32(30,31)18-12-10-16(11-13-18)19(27)24-26-20(28)22(23-21(26)29)14-6-3-7-15-22/h10-13,17H,2-9,14-15H2,1H3,(H,23,29)(H,24,27).
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide has a molecular weight of 462.57 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzamide is sourced from PubChem (CID 17478998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).