methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate

C21H27NO7S — CID 100508887

IUPACmethyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C21H27NO7S/c1-12(2)14-10-20(13(3)8-17(14)26-4)30(24,25)22-16-11-19(28-6)18(27-5)9-15(16)21(23)29-7/h8-12,22H,1-7H3
InChIKeyKDFGNOWQGJBGPS-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.73
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate

methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate (PubChem CID 100508887) has the molecular formula C21H27NO7S and a molecular weight of 437.51 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
PubChem CID100508887
Molecular FormulaC21H27NO7S
Molecular Weight437.51 g/mol
Exact Mass437.15
IUPAC Namemethyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C21H27NO7S/c1-12(2)14-10-20(13(3)8-17(14)26-4)30(24,25)22-16-11-19(28-6)18(27-5)9-15(16)21(23)29-7/h8-12,22H,1-7H3
InChIKeyKDFGNOWQGJBGPS-UHFFFAOYSA-N
XLogP3.73
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate with MolForge

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Related Compounds

2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
methyl 2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3459990
methyl 4,5-dimethoxy-2-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]benzoate
CID 35508855
methyl 2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 7941100
N-(4-ethylphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 100535370
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 100545095
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
methyl 2-[(2-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 2480010
N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133162278
methyl 2-[(4-iodophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 3486727
dimethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26949768
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate (CID 100508887) is methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate?
The InChIKey is KDFGNOWQGJBGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO7S/c1-12(2)14-10-20(13(3)8-17(14)26-4)30(24,25)22-16-11-19(28-6)18(27-5)9-15(16)21(23)29-7/h8-12,22H,1-7H3.
What are the key properties of methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate?
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate has a molecular weight of 437.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 100508887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).