[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

C21H24N2O6S — CID 30666166

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-16-4-6-17(7-5-16)20(25)14-29-21(26)12-13-22-30(27,28)19-10-8-18(9-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,23,24)
InChIKeyCHUYAUJEOBLREV-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.30
Rot. Bonds10

About [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate (PubChem CID 30666166) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
PubChem CID30666166
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
SMILESCCc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C21H24N2O6S/c1-3-16-4-6-17(7-5-16)20(25)14-29-21(26)12-13-22-30(27,28)19-10-8-18(9-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,23,24)
InChIKeyCHUYAUJEOBLREV-UHFFFAOYSA-N
XLogP2.30
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870402
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 30441665
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7870395
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate
CID 55322613
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614503
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
(3-carbamoylphenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55634611
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 55539361
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 34780491
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
[1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 24817979

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate (CID 30666166) is [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate is CCc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
The InChIKey is CHUYAUJEOBLREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-3-16-4-6-17(7-5-16)20(25)14-29-21(26)12-13-22-30(27,28)19-10-8-18(9-11-19)23-15(2)24/h4-11,22H,3,12-14H2,1-2H3,(H,23,24).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate?
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate has a molecular weight of 432.50 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 30666166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).