methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate

C19H20ClFN2O6S — CID 86744150

IUPACmethyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(F)Oc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClFN2O6S/c1-28-17(24)12-22-19(25)18(21)29-15-6-2-13(3-7-15)10-11-23-30(26,27)16-8-4-14(20)5-9-16/h2-9,18,23H,10-12H2,1H3,(H,22,25)
InChIKeyOTXPGDPMKKXJHJ-UHFFFAOYSA-N
MW458.90 g/mol
LogP1.82
Rot. Bonds10

About methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate

methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate (PubChem CID 86744150) has the molecular formula C19H20ClFN2O6S and a molecular weight of 458.90 g/mol. Its IUPAC name is methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate
PubChem CID86744150
Molecular FormulaC19H20ClFN2O6S
Molecular Weight458.90 g/mol
Exact Mass458.07
IUPAC Namemethyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(F)Oc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClFN2O6S/c1-28-17(24)12-22-19(25)18(21)29-15-6-2-13(3-7-15)10-11-23-30(26,27)16-8-4-14(20)5-9-16/h2-9,18,23H,10-12H2,1H3,(H,22,25)
InChIKeyOTXPGDPMKKXJHJ-UHFFFAOYSA-N
XLogP1.82
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 1728898
N-[2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2997539
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24687256
2-(3-chlorophenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2933399
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 2510437
N-(4-chlorobenzyl)-2-(4-{[(2-phenylethyl)amino]sulfonyl}phenoxy)acetamide
CID 1210580
2-[(2-phenoxyacetyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2465164
2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2982742
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 5981972
N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 16329336
N1-((3-((4-chlorophenyl)sulfonyl)oxazolidin-2-yl)methyl)-N2-(2-methoxyphenethyl)oxalamide
CID 18561496

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate (CID 86744150) is methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate is COC(=O)CNC(=O)C(F)Oc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate?
The InChIKey is OTXPGDPMKKXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O6S/c1-28-17(24)12-22-19(25)18(21)29-15-6-2-13(3-7-15)10-11-23-30(26,27)16-8-4-14(20)5-9-16/h2-9,18,23H,10-12H2,1H3,(H,22,25).
What are the key properties of methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate?
methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate has a molecular weight of 458.90 g/mol, XLogP of 1.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenoxy]-2-fluoroacetyl]amino]acetate is sourced from PubChem (CID 86744150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).