N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

C17H18BrFN2O4S — CID 126311869

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18BrFN2O4S/c1-3-25-14-7-5-13(6-8-14)21(26(2,23)24)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyWVNHAZOYWWZMSW-UHFFFAOYSA-N
MW445.31 g/mol
LogP3.39
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 126311869) has the molecular formula C17H18BrFN2O4S and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID126311869
Molecular FormulaC17H18BrFN2O4S
Molecular Weight445.31 g/mol
Exact Mass444.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C17H18BrFN2O4S/c1-3-25-14-7-5-13(6-8-14)21(26(2,23)24)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyWVNHAZOYWWZMSW-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
(2R)-N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126342070
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126334178
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-(4-bromo-2-fluorophenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 92649274
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 23792597
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1362820
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide (CID 126311869) is N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is WVNHAZOYWWZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O4S/c1-3-25-14-7-5-13(6-8-14)21(26(2,23)24)11-17(22)20-16-9-4-12(18)10-15(16)19/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 445.31 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).