ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

C25H27FN2O4S — CID 10766746

IUPACethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1
InChIInChI=1S/C25H27FN2O4S/c1-2-32-25(29)10-5-19-14-20(16-22(15-19)17-21-4-3-12-27-18-21)11-13-28-33(30,31)24-8-6-23(26)7-9-24/h3-4,6-9,12,14-16,18,28H,2,5,10-11,13,17H2,1H3
InChIKeyJRUUMTDIPAZDSI-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.83
Rot. Bonds11

About ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate

ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate (PubChem CID 10766746) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
PubChem CID10766746
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Nameethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1
InChIInChI=1S/C25H27FN2O4S/c1-2-32-25(29)10-5-19-14-20(16-22(15-19)17-21-4-3-12-27-18-21)11-13-28-33(30,31)24-8-6-23(26)7-9-24/h3-4,6-9,12,14-16,18,28H,2,5,10-11,13,17H2,1H3
InChIKeyJRUUMTDIPAZDSI-UHFFFAOYSA-N
XLogP3.83
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylpropyl)octanoic Acid
CID 9803080
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10321942
4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylamino)-octanoic acid
CID 10432964
3-{3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-pyridin-4-ylmethyl-phenyl}-propionic acid
CID 19711412
3-Hexenoic acid, 6-(3-pyridinyl)-6-(4-(2-(((4-(trifluoromethyl)phenyl)sulfonyl)amino)ethyl)phenyl)-
CID 6449278
(E)-6-[2-(4-Fluoro-benzenesulfonylamino)-indan-5-yl]-6-pyridin-3-yl-hex-5-enoic acid
CID 22901615
8-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-4-[3-(3-pyridinyl)propyl]octanoic acid
CID 10005641
(E)-6-Pyridin-3-yl-6-{4-[2-(4-trifluoromethyl-benzenesulfonylamino)-ethyl]-phenyl}-hex-5-enoic acid
CID 10075294
3-[3-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-5-(1-pyridin-3-yl-ethyl)-phenyl]-propionic acid
CID 10254246
8-(Naphthalene-2-sulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid
CID 10367365
8-(4-Methanesulfonyl-benzenesulfonylamino)-4-(3-pyridin-3-yl-propyl)-octanoic acid
CID 10391135
3-[3-(2-Benzenesulfonyl-ethyl)-5-pyridin-3-ylmethyl-phenyl]-propionic acid
CID 10549479

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate (CID 10766746) is ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate is CCOC(=O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1.
What is the InChIKey of ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate?
The InChIKey is JRUUMTDIPAZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-2-32-25(29)10-5-19-14-20(16-22(15-19)17-21-4-3-12-27-18-21)11-13-28-33(30,31)24-8-6-23(26)7-9-24/h3-4,6-9,12,14-16,18,28H,2,5,10-11,13,17H2,1H3.
What are the key properties of ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate?
ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate has a molecular weight of 470.57 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-5-(pyridin-3-ylmethyl)phenyl]propanoate is sourced from PubChem (CID 10766746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).