[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

C24H23N3O6S — CID 55489864

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1
InChIInChI=1S/C24H23N3O6S/c1-2-15-25-34(31,32)18-11-9-17(10-12-18)22(29)33-16-21(28)27-20-8-4-3-7-19(20)26-23(30)24(27)13-5-6-14-24/h1,3-4,7-12,25H,5-6,13-16H2,(H,26,30)
InChIKeyYDUIQOMDDWOICX-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.05
Rot. Bonds6

About [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate (PubChem CID 55489864) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate
PubChem CID55489864
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1
InChIInChI=1S/C24H23N3O6S/c1-2-15-25-34(31,32)18-11-9-17(10-12-18)22(29)33-16-21(28)27-20-8-4-3-7-19(20)26-23(30)24(27)13-5-6-14-24/h1,3-4,7-12,25H,5-6,13-16H2,(H,26,30)
InChIKeyYDUIQOMDDWOICX-UHFFFAOYSA-N
XLogP2.05
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55458310
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3,4-dichlorobenzoate
CID 55458590
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55459441
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 55459608
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 46658050
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2,4-difluorobenzoate
CID 55459108
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46658405
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate
CID 55458531
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55458273
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(difluoromethoxy)benzoate
CID 46658647

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate (CID 55489864) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate is C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate?
The InChIKey is YDUIQOMDDWOICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-2-15-25-34(31,32)18-11-9-17(10-12-18)22(29)33-16-21(28)27-20-8-4-3-7-19(20)26-23(30)24(27)13-5-6-14-24/h1,3-4,7-12,25H,5-6,13-16H2,(H,26,30).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate has a molecular weight of 481.53 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(prop-2-ynylsulfamoyl)benzoate is sourced from PubChem (CID 55489864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).