2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide

C22H20F2N2O4S — CID 1303646

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20F2N2O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)17-8-4-3-5-9-17)15-22(27)25-19-13-12-16(23)14-18(19)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyKWBXKGIPJITQSG-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.20
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 1303646) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
PubChem CID1303646
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20F2N2O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)17-8-4-3-5-9-17)15-22(27)25-19-13-12-16(23)14-18(19)24/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyKWBXKGIPJITQSG-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
N-(2,4-difluorophenyl)-3-(2-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144844
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 92684823
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2-ethoxyphenyl)acetamide
CID 1099987
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(2-ethoxyphenyl)acetamide
CID 994355

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide (CID 1303646) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(F)cc1F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is KWBXKGIPJITQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-2-30-21-11-7-6-10-20(21)26(31(28,29)17-8-4-3-5-9-17)15-22(27)25-19-13-12-16(23)14-18(19)24/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 446.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 1303646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).