N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide

C25H27FN2O4S — CID 4615229

IUPACN-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O4S/c1-4-18-7-6-8-19(5-2)25(18)27-24(29)17-28(21-11-13-22(32-3)14-12-21)33(30,31)23-15-9-20(26)10-16-23/h6-16H,4-5,17H2,1-3H3,(H,27,29)
InChIKeyYVWWFHGESHWIIB-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.79
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide

N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide (PubChem CID 4615229) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
PubChem CID4615229
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC NameN-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H27FN2O4S/c1-4-18-7-6-8-19(5-2)25(18)27-24(29)17-28(21-11-13-22(32-3)14-12-21)33(30,31)23-15-9-20(26)10-16-23/h6-16H,4-5,17H2,1-3H3,(H,27,29)
InChIKeyYVWWFHGESHWIIB-UHFFFAOYSA-N
XLogP4.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
N-[4-(diethylsulfamoyl)phenyl]-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 126348365
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654
N-(2,6-diethylphenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 45371949
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
N-(2,4-dimethoxyphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126385845
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280196

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide (CID 4615229) is N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide is CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide?
The InChIKey is YVWWFHGESHWIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-4-18-7-6-8-19(5-2)25(18)27-24(29)17-28(21-11-13-22(32-3)14-12-21)33(30,31)23-15-9-20(26)10-16-23/h6-16H,4-5,17H2,1-3H3,(H,27,29).
What are the key properties of N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide?
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide has a molecular weight of 470.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide is sourced from PubChem (CID 4615229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).