3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C21H30N4O5S — CID 24537070

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O5S/c1-20(2,3)15-7-9-16(10-8-15)31(29,30)22-14-11-17(26)24-25-18(27)21(23-19(25)28)12-5-4-6-13-21/h7-10,22H,4-6,11-14H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyKMVMQGVMGMUAFT-UHFFFAOYSA-N
MW450.56 g/mol
LogP1.94
Rot. Bonds6

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 24537070) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID24537070
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H30N4O5S/c1-20(2,3)15-7-9-16(10-8-15)31(29,30)22-14-11-17(26)24-25-18(27)21(23-19(25)28)12-5-4-6-13-21/h7-10,22H,4-6,11-14H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyKMVMQGVMGMUAFT-UHFFFAOYSA-N
XLogP1.94
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.94
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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 27533515
4-(4-tert-butylphenoxy)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 8873646
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24545871
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
3-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 55723525
3-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558538
3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24585914
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500399
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 24537070) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is KMVMQGVMGMUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-20(2,3)15-7-9-16(10-8-15)31(29,30)22-14-11-17(26)24-25-18(27)21(23-19(25)28)12-5-4-6-13-21/h7-10,22H,4-6,11-14H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 450.56 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 24537070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).