N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H23FN2O4S — CID 1095185

IUPACN-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-30-22-7-5-4-6-21(22)25-23(27)16-26(19-12-10-18(24)11-13-19)31(28,29)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyHZNIJFIATBTVER-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.37
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1095185) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1095185
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23FN2O4S/c1-3-30-22-7-5-4-6-21(22)25-23(27)16-26(19-12-10-18(24)11-13-19)31(28,29)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyHZNIJFIATBTVER-UHFFFAOYSA-N
XLogP4.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588
N-(2-ethoxyphenyl)-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 1372189
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
N-(2-ethoxyphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998705
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 43891721
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethoxyphenyl)acetamide
CID 126123006
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1339403
N-(4-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 978482

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1095185) is N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is CCOc1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is HZNIJFIATBTVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-3-30-22-7-5-4-6-21(22)25-23(27)16-26(19-12-10-18(24)11-13-19)31(28,29)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 442.51 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1095185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).