[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C18H17F3N2O5S — CID 2091905

IUPAC[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O5S/c1-12-2-8-15(9-3-12)29(26,27)22-10-17(25)28-11-16(24)23-14-6-4-13(5-7-14)18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,24)
InChIKeyHHLDPJUWUNCYIG-UHFFFAOYSA-N
MW430.40 g/mol
LogP2.47
Rot. Bonds7

About [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2091905) has the molecular formula C18H17F3N2O5S and a molecular weight of 430.40 g/mol. Its IUPAC name is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID2091905
Molecular FormulaC18H17F3N2O5S
Molecular Weight430.40 g/mol
Exact Mass430.08
IUPAC Name[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O5S/c1-12-2-8-15(9-3-12)29(26,27)22-10-17(25)28-11-16(24)23-14-6-4-13(5-7-14)18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,24)
InChIKeyHHLDPJUWUNCYIG-UHFFFAOYSA-N
XLogP2.47
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate with MolForge

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Related Compounds

(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3882778
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4574211
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 6520380
2-Oxo-2-[4-[2-(4-sulfamoylphenyl)ethynyl]anilino]acetic acid
CID 156016307
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-[4-(trifluoromethyl)phenyl]glycinamide
CID 1296417
[2-(4-Cyanoanilino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 2077902
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2079114
(2-Anilino-2-oxoethyl) 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2338780
2-[(4-Methylphenyl)sulfonylamino]acetic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester
CID 2347404
[2-oxo-2-(4-sulfamoylanilino)ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2387412

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 2091905) is [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is HHLDPJUWUNCYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5S/c1-12-2-8-15(9-3-12)29(26,27)22-10-17(25)28-11-16(24)23-14-6-4-13(5-7-14)18(19,20)21/h2-9,22H,10-11H2,1H3,(H,23,24).
What are the key properties of [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 430.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2091905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).