[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

C19H22N2O6S — CID 8657514

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13-4-5-14(2)17(10-13)28(24,25)20-11-19(23)27-12-18(22)21-15-6-8-16(26-3)9-7-15/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyCIWFQMCEPGOHJI-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.77
Rot. Bonds8

About [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (PubChem CID 8657514) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
PubChem CID8657514
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13-4-5-14(2)17(10-13)28(24,25)20-11-19(23)27-12-18(22)21-15-6-8-16(26-3)9-7-15/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyCIWFQMCEPGOHJI-UHFFFAOYSA-N
XLogP1.77
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657494
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657542
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657203
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657333
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925331
4-[[2-[(2,5-dimethylphenyl)sulfonylamino]acetyl]amino]-N-methylbenzamide
CID 9164619
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3572885
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570249

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate (CID 8657514) is [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is CIWFQMCEPGOHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-4-5-14(2)17(10-13)28(24,25)20-11-19(23)27-12-18(22)21-15-6-8-16(26-3)9-7-15/h4-10,20H,11-12H2,1-3H3,(H,21,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 406.46 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 8657514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).