2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

C23H20ClF3N2O4S — CID 3319169

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c1-2-33-21-10-6-5-9-20(21)29(34(31,32)17-13-11-16(24)12-14-17)15-22(30)28-19-8-4-3-7-18(19)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyUOHBVSKRJQPKKB-UHFFFAOYSA-N
MW512.94 g/mol
LogP5.59
Rot. Bonds8

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3319169) has the molecular formula C23H20ClF3N2O4S and a molecular weight of 512.94 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3319169
Molecular FormulaC23H20ClF3N2O4S
Molecular Weight512.94 g/mol
Exact Mass512.08
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF3N2O4S/c1-2-33-21-10-6-5-9-20(21)29(34(31,32)17-13-11-16(24)12-14-17)15-22(30)28-19-8-4-3-7-18(19)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30)
InChIKeyUOHBVSKRJQPKKB-UHFFFAOYSA-N
XLogP5.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126181164
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1299985
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30168025
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 43891721
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
CID 1303646
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2-ethoxyphenyl)acetamide
CID 1099987
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3319169) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UOHBVSKRJQPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O4S/c1-2-33-21-10-6-5-9-20(21)29(34(31,32)17-13-11-16(24)12-14-17)15-22(30)28-19-8-4-3-7-18(19)23(25,26)27/h3-14H,2,15H2,1H3,(H,28,30).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 512.94 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3319169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).