ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate

C19H20F3NO4S — CID 71565239

IUPACethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate
SMILESCCOC(=O)C(C)N(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20F3NO4S/c1-4-27-18(24)14(3)23(17-8-6-5-7-16(17)19(20,21)22)28(25,26)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3
InChIKeyXEFDGZKVRJRYJK-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.16
Rot. Bonds6

About ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate

ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate (PubChem CID 71565239) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate
PubChem CID71565239
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Nameethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate
SMILESCCOC(=O)C(C)N(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20F3NO4S/c1-4-27-18(24)14(3)23(17-8-6-5-7-16(17)19(20,21)22)28(25,26)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3
InChIKeyXEFDGZKVRJRYJK-UHFFFAOYSA-N
XLogP4.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)propanoyl chloride
CID 50893461
benzyl (2S)-2-(N-(4-methylphenyl)sulfonylanilino)propanoate
CID 142742404
ethyl 2-(2-chloro-N-methylsulfonylanilino)propanoate
CID 24981328
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 126191438
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
[2-[butanoyl-(4-methylphenyl)sulfonylamino]phenyl] butanoate
CID 7731199
4-bromo-N-(2-methylpropyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 86722206
N-butan-2-yl-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139202
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 30306723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate?
The IUPAC name of ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate (CID 71565239) is ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate.
What is the SMILES notation for ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate?
The canonical SMILES for ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate is CCOC(=O)C(C)N(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate?
The InChIKey is XEFDGZKVRJRYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-4-27-18(24)14(3)23(17-8-6-5-7-16(17)19(20,21)22)28(25,26)15-11-9-13(2)10-12-15/h5-12,14H,4H2,1-3H3.
What are the key properties of ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate?
ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate has a molecular weight of 415.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)anilino]propanoate is sourced from PubChem (CID 71565239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).