methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate

C24H30N2O6S — CID 176913474

IUPACmethyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2OC)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H30N2O6S/c1-30-18-5-4-17(22(14-18)31-2)16-25-33(28,29)19-6-7-20(23(27)32-3)21(15-19)26-12-10-24(8-9-24)11-13-26/h4-7,14-15,25H,8-13,16H2,1-3H3
InChIKeyGPUGMLWSNIGMMW-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.35
Rot. Bonds8

About methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate

methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate (PubChem CID 176913474) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate
PubChem CID176913474
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Namemethyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2OC)cc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H30N2O6S/c1-30-18-5-4-17(22(14-18)31-2)16-25-33(28,29)19-6-7-20(23(27)32-3)21(15-19)26-12-10-24(8-9-24)11-13-26/h4-7,14-15,25H,8-13,16H2,1-3H3
InChIKeyGPUGMLWSNIGMMW-UHFFFAOYSA-N
XLogP3.35
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)benzoate
CID 171824917
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
3-acetyl-N-[(2,4-dimethoxyphenyl)methyl]benzenesulfonamide
CID 110780749
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
4-acetamido-N-[(2,4-dimethoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 53146056
5-(benzenesulfonyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 57430693

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate?
The IUPAC name of methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate (CID 176913474) is methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)cc2OC)cc1N1CCC2(CC1)CC2.
What is the InChIKey of methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate?
The InChIKey is GPUGMLWSNIGMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-30-18-5-4-17(22(14-18)31-2)16-25-33(28,29)19-6-7-20(23(27)32-3)21(15-19)26-12-10-24(8-9-24)11-13-26/h4-7,14-15,25H,8-13,16H2,1-3H3.
What are the key properties of methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate?
methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate has a molecular weight of 474.58 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-azaspiro[2.5]octan-6-yl)-4-[(2,4-dimethoxyphenyl)methylsulfamoyl]benzoate is sourced from PubChem (CID 176913474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).