[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C21H26N2O7S — CID 35777078

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C21H26N2O7S/c1-3-28-16-9-11-17(12-10-16)31(26,27)22-14-13-21(25)30-15-20(24)23-18-7-5-6-8-19(18)29-4-2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,24)
InChIKeyXHYSWKHHWCQYGC-UHFFFAOYSA-N
MW450.51 g/mol
LogP2.33
Rot. Bonds12

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 35777078) has the molecular formula C21H26N2O7S and a molecular weight of 450.51 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
PubChem CID35777078
Molecular FormulaC21H26N2O7S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C21H26N2O7S/c1-3-28-16-9-11-17(12-10-16)31(26,27)22-14-13-21(25)30-15-20(24)23-18-7-5-6-8-19(18)29-4-2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,24)
InChIKeyXHYSWKHHWCQYGC-UHFFFAOYSA-N
XLogP2.33
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2559727
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602582
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3892246
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
[2-(cyclooctylamino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3639542
N-(2-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112998822
N-(2-ethoxyphenyl)-2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3968291
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3319367
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4043608
(1,3-dioxoisoindol-2-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2570645

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 35777078) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
The InChIKey is XHYSWKHHWCQYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7S/c1-3-28-16-9-11-17(12-10-16)31(26,27)22-14-13-21(25)30-15-20(24)23-18-7-5-6-8-19(18)29-4-2/h5-12,22H,3-4,13-15H2,1-2H3,(H,23,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 450.51 g/mol, XLogP of 2.33, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 35777078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).