[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C22H30N4O7S — CID 55422952

IUPAC[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H30N4O7S/c1-15(19(28)24-13-10-16-6-8-17(9-7-16)34(23,31)32)33-18(27)14-26-20(29)22(25(2)21(26)30)11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,24,28)(H2,23,31,32)
InChIKeyDDMLARBPQQGFRZ-UHFFFAOYSA-N
MW494.57 g/mol
LogP0.52
Rot. Bonds8

About [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55422952) has the molecular formula C22H30N4O7S and a molecular weight of 494.57 g/mol. Its IUPAC name is [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55422952
Molecular FormulaC22H30N4O7S
Molecular Weight494.57 g/mol
Exact Mass494.18
IUPAC Name[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C22H30N4O7S/c1-15(19(28)24-13-10-16-6-8-17(9-7-16)34(23,31)32)33-18(27)14-26-20(29)22(25(2)21(26)30)11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,24,28)(H2,23,31,32)
InChIKeyDDMLARBPQQGFRZ-UHFFFAOYSA-N
XLogP0.52
TPSA156.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367108
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367166
[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738290
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55475100
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 3875350
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S)-2-benzamidopropanoate
CID 55937101
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565755
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 55423045
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31544067
3-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861441

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55422952) is [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is DDMLARBPQQGFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O7S/c1-15(19(28)24-13-10-16-6-8-17(9-7-16)34(23,31)32)33-18(27)14-26-20(29)22(25(2)21(26)30)11-4-3-5-12-22/h6-9,15H,3-5,10-14H2,1-2H3,(H,24,28)(H2,23,31,32).
What are the key properties of [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 494.57 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55422952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).