ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate

C25H26ClFN2O5S — CID 156767952

IUPACethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(-c2cc(Cl)cc(F)c2NS(=O)(=O)c2cncc(CC)c2)cc1
InChIInChI=1S/C25H26ClFN2O5S/c1-5-16-11-20(15-28-14-16)35(31,32)29-23-21(12-18(26)13-22(23)27)17-7-9-19(10-8-17)34-25(3,4)24(30)33-6-2/h7-15,29H,5-6H2,1-4H3
InChIKeyGFSIVMZVTYQJKS-UHFFFAOYSA-N
MW521.01 g/mol
LogP5.62
Rot. Bonds9

About ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate

ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate (PubChem CID 156767952) has the molecular formula C25H26ClFN2O5S and a molecular weight of 521.01 g/mol. Its IUPAC name is ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate
PubChem CID156767952
Molecular FormulaC25H26ClFN2O5S
Molecular Weight521.01 g/mol
Exact Mass520.12
IUPAC Nameethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(-c2cc(Cl)cc(F)c2NS(=O)(=O)c2cncc(CC)c2)cc1
InChIInChI=1S/C25H26ClFN2O5S/c1-5-16-11-20(15-28-14-16)35(31,32)29-23-21(12-18(26)13-22(23)27)17-7-9-19(10-8-17)34-25(3,4)24(30)33-6-2/h7-15,29H,5-6H2,1-4H3
InChIKeyGFSIVMZVTYQJKS-UHFFFAOYSA-N
XLogP5.62
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.01
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate with MolForge

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Related Compounds

ethyl 2-[4-[5-chloro-2-[(4,5-dimethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenyl]acetate
CID 156767968
2-[4-[3,5-dichloro-2-(pyridin-3-ylsulfonylamino)phenyl]phenoxy]-2-methylpropanoic acid
CID 152675590
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
2-[4-[3,5-dichloro-2-[(5-methyl-3-pyridinyl)sulfonylamino]phenyl]phenoxy]acetic acid
CID 156767951
ethyl 2-[4-(2-amino-2-oxoethyl)phenoxy]-2-methylpropanoate
CID 156541205
ethyl 2-[4-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]phenoxy]-2-methylpropanoate
CID 54587554
ethyl 2-[4-[5-(2-aminoethyl)-2-pyridinyl]phenoxy]-2-methylpropanoate
CID 58148701
ethyl 2-[4-[4-[2-[(3-chlorobenzoyl)amino]ethyl]phenyl]phenoxy]-2-methylpropanoate
CID 160603000
2-methylpropyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
CID 155887634
ethyl 2-[4-(heptylamino)phenoxy]-2-methylpropanoate
CID 59036087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate (CID 156767952) is ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(-c2cc(Cl)cc(F)c2NS(=O)(=O)c2cncc(CC)c2)cc1.
What is the InChIKey of ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate?
The InChIKey is GFSIVMZVTYQJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN2O5S/c1-5-16-11-20(15-28-14-16)35(31,32)29-23-21(12-18(26)13-22(23)27)17-7-9-19(10-8-17)34-25(3,4)24(30)33-6-2/h7-15,29H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate?
ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate has a molecular weight of 521.01 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-chloro-2-[(5-ethyl-3-pyridinyl)sulfonylamino]-3-fluorophenyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 156767952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).