methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate

C20H24N2O5S — CID 50889481

IUPACmethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
SMILESCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-13-10-14(2)20(15(3)11-13)22(12-19(24)27-5)28(25,26)18-8-6-17(7-9-18)21-16(4)23/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyBOFFHSIDQNOGAO-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate

methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate (PubChem CID 50889481) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
PubChem CID50889481
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namemethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
SMILESCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-13-10-14(2)20(15(3)11-13)22(12-19(24)27-5)28(25,26)18-8-6-17(7-9-18)21-16(4)23/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyBOFFHSIDQNOGAO-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
propan-2-yl 2-(N-(4-bromophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50891915
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
ethyl 2-(2,4,6-trimethyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100528396
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetamide
CID 126137622
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate?
The IUPAC name of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate (CID 50889481) is methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate.
What is the SMILES notation for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate?
The canonical SMILES for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate is COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate?
The InChIKey is BOFFHSIDQNOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13-10-14(2)20(15(3)11-13)22(12-19(24)27-5)28(25,26)18-8-6-17(7-9-18)21-16(4)23/h6-11H,12H2,1-5H3,(H,21,23).
What are the key properties of methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate?
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate has a molecular weight of 404.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate is sourced from PubChem (CID 50889481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).