[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C19H22N2O7S — CID 3572885

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O7S/c1-13-4-7-15(8-5-13)29(24,25)20-11-19(23)28-12-18(22)21-16-9-6-14(26-2)10-17(16)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyXQOUOSCXVRNOEO-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.47
Rot. Bonds9

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 3572885) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID3572885
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H22N2O7S/c1-13-4-7-15(8-5-13)29(24,25)20-11-19(23)28-12-18(22)21-16-9-6-14(26-2)10-17(16)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,22)
InChIKeyXQOUOSCXVRNOEO-UHFFFAOYSA-N
XLogP1.47
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602437
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4256696
2-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 126155694
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-(2,4-dimethoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112999258
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 112999269
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7570245
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46788858
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4072962

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 3572885) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is COc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is XQOUOSCXVRNOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-13-4-7-15(8-5-13)29(24,25)20-11-19(23)28-12-18(22)21-16-9-6-14(26-2)10-17(16)27-3/h4-10,20H,11-12H2,1-3H3,(H,21,22).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 422.46 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3572885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).