[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

C20H24N2O6S — CID 7977297

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C20H24N2O6S/c1-14-8-9-18(15(2)12-14)29(25,26)21-11-10-20(24)28-13-19(23)22-16-6-4-5-7-17(16)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyFXTNQUXZJZUBJP-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.16
Rot. Bonds9

About [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate (PubChem CID 7977297) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
PubChem CID7977297
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
SMILESCOc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C20H24N2O6S/c1-14-8-9-18(15(2)12-14)29(25,26)21-11-10-20(24)28-13-19(23)22-16-6-4-5-7-17(16)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23)
InChIKeyFXTNQUXZJZUBJP-UHFFFAOYSA-N
XLogP2.16
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582
[2-(2-methoxyanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212928
[2-(3-fluoroanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate
CID 7976982
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602437
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168521
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871146
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate (CID 7977297) is [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate is COc1ccccc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
The InChIKey is FXTNQUXZJZUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-14-8-9-18(15(2)12-14)29(25,26)21-11-10-20(24)28-13-19(23)22-16-6-4-5-7-17(16)27-3/h4-9,12,21H,10-11,13H2,1-3H3,(H,22,23).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate?
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate has a molecular weight of 420.49 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7977297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).