methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate

C21H26N2O7S — CID 24581952

IUPACmethyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C21H26N2O7S/c1-13-9-16(31(26,27)23(3)4)11-18(14(13)2)22-20(24)12-30-19-10-15(28-5)7-8-17(19)21(25)29-6/h7-11H,12H2,1-6H3,(H,22,24)
InChIKeyPGCKLXVDISULCG-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.37
Rot. Bonds8

About methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 24581952) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
PubChem CID24581952
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Namemethyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C21H26N2O7S/c1-13-9-16(31(26,27)23(3)4)11-18(14(13)2)22-20(24)12-30-19-10-15(28-5)7-8-17(19)21(25)29-6/h7-11H,12H2,1-6H3,(H,22,24)
InChIKeyPGCKLXVDISULCG-UHFFFAOYSA-N
XLogP2.37
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24582148
2-(1-bromonaphthalen-2-yl)oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581585
N-[3-acetyl-4-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]phenyl]butanamide
CID 24581992
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24524957
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
CID 26978285
2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7929166
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate (CID 24581952) is methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCC(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C.
What is the InChIKey of methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is PGCKLXVDISULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-13-9-16(31(26,27)23(3)4)11-18(14(13)2)22-20(24)12-30-19-10-15(28-5)7-8-17(19)21(25)29-6/h7-11H,12H2,1-6H3,(H,22,24).
What are the key properties of methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 450.51 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(dimethylsulfamoyl)-2,3-dimethylanilino]-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 24581952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).