ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate

C19H23N3O6S — CID 91941794

IUPACethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(S(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-2-28-16(23)11-8-14-6-9-15(10-7-14)29(26,27)21-22-17(24)19(20-18(22)25)12-4-3-5-13-19/h6-11,21H,2-5,12-13H2,1H3,(H,20,25)
InChIKeyHQRVOGCPRIRANQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.71
Rot. Bonds6

About ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate

ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate (PubChem CID 91941794) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate
PubChem CID91941794
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Nameethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(S(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C19H23N3O6S/c1-2-28-16(23)11-8-14-6-9-15(10-7-14)29(26,27)21-22-17(24)19(20-18(22)25)12-4-3-5-13-19/h6-11,21H,2-5,12-13H2,1H3,(H,20,25)
InChIKeyHQRVOGCPRIRANQ-UHFFFAOYSA-N
XLogP1.71
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate with MolForge

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Related Compounds

ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214
ethyl (E)-3-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]prop-2-enoate
CID 75421839
ethyl (Z)-3-(4-methylsulfonylphenyl)prop-2-enoate
CID 86308026
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
ethyl (E)-3-[4-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]phenyl]prop-2-enoate
CID 25352936
3-[(4-tert-butylphenyl)sulfonylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24537070
ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
ethyl (E)-3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-enoate
CID 141319024
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27532874
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6116132
(4-methylphenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 71954495
ethyl (E)-2-cyano-3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]prop-2-enoate
CID 8812196

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate (CID 91941794) is ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(S(=O)(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate?
The InChIKey is HQRVOGCPRIRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-2-28-16(23)11-8-14-6-9-15(10-7-14)29(26,27)21-22-17(24)19(20-18(22)25)12-4-3-5-13-19/h6-11,21H,2-5,12-13H2,1H3,(H,20,25).
What are the key properties of ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate?
ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate has a molecular weight of 421.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)sulfamoyl]phenyl]prop-2-enoate is sourced from PubChem (CID 91941794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).