[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C20H20F2N2O5S — CID 16599286

IUPAC[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1
InChIInChI=1S/C20H20F2N2O5S/c1-2-28-14-9-7-13(8-10-14)19(27)23-11-18(26)29-12-17(25)24-15-5-3-4-6-16(15)30-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyWURYZJBTYGXBDN-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.31
Rot. Bonds10

About [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 16599286) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID16599286
Molecular FormulaC20H20F2N2O5S
Molecular Weight438.45 g/mol
Exact Mass438.11
IUPAC Name[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1
InChIInChI=1S/C20H20F2N2O5S/c1-2-28-14-9-7-13(8-10-14)19(27)23-11-18(26)29-12-17(25)24-15-5-3-4-6-16(15)30-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyWURYZJBTYGXBDN-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate 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

[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 8574553
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 2389753
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 8024516
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27013138
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 16599286) is [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2SC(F)F)cc1.
What is the InChIKey of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is WURYZJBTYGXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c1-2-28-14-9-7-13(8-10-14)19(27)23-11-18(26)29-12-17(25)24-15-5-3-4-6-16(15)30-20(21)22/h3-10,20H,2,11-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 438.45 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 16599286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).