ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

C18H20FNO4S — CID 11187674

IUPACethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-3-24-18(21)17(14-6-8-15(19)9-7-14)12-20-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,20H,3,12H2,1-2H3
InChIKeyGJOOLIHHTSWDCG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.76
Rot. Bonds7

About ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 11187674) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID11187674
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Nameethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCCOC(=O)C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO4S/c1-3-24-18(21)17(14-6-8-15(19)9-7-14)12-20-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,20H,3,12H2,1-2H3
InChIKeyGJOOLIHHTSWDCG-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 11187674) is ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is CCOC(=O)C(CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is GJOOLIHHTSWDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-3-24-18(21)17(14-6-8-15(19)9-7-14)12-20-25(22,23)16-10-4-13(2)5-11-16/h4-11,17,20H,3,12H2,1-2H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 365.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 11187674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).