2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C23H20F4N2O4S — CID 4551871

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20F4N2O4S/c1-2-33-20-11-13-21(14-12-20)34(31,32)29(19-9-5-17(24)6-10-19)15-22(30)28-18-7-3-16(4-8-18)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyRCAHHLJPUMAVQQ-UHFFFAOYSA-N
MW496.48 g/mol
LogP5.08
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 4551871) has the molecular formula C23H20F4N2O4S and a molecular weight of 496.48 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID4551871
Molecular FormulaC23H20F4N2O4S
Molecular Weight496.48 g/mol
Exact Mass496.11
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H20F4N2O4S/c1-2-33-20-11-13-21(14-12-20)34(31,32)29(19-9-5-17(24)6-10-19)15-22(30)28-18-7-3-16(4-8-18)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyRCAHHLJPUMAVQQ-UHFFFAOYSA-N
XLogP5.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide 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-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126268481
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482
N-(4-chlorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126385893
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-naphthalen-2-ylacetamide
CID 126387449
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 5214646
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30249527
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 4551871) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RCAHHLJPUMAVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O4S/c1-2-33-20-11-13-21(14-12-20)34(31,32)29(19-9-5-17(24)6-10-19)15-22(30)28-18-7-3-16(4-8-18)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 496.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4551871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).