2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C23H22FN3O5S — CID 26695506

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O5S/c24-19-6-2-3-7-20(19)27-22(28)15-32-21-8-4-1-5-18(21)23(29)26-14-13-16-9-11-17(12-10-16)33(25,30)31/h1-12H,13-15H2,(H,26,29)(H,27,28)(H2,25,30,31)
InChIKeyZZVZFQJRWYEBKX-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.46
Rot. Bonds9

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 26695506) has the molecular formula C23H22FN3O5S and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID26695506
Molecular FormulaC23H22FN3O5S
Molecular Weight471.51 g/mol
Exact Mass471.13
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O5S/c24-19-6-2-3-7-20(19)27-22(28)15-32-21-8-4-1-5-18(21)23(29)26-14-13-16-9-11-17(12-10-16)33(25,30)31/h1-12H,13-15H2,(H,26,29)(H,27,28)(H2,25,30,31)
InChIKeyZZVZFQJRWYEBKX-UHFFFAOYSA-N
XLogP2.46
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365359
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-nitroanilino)ethyl]benzamide
CID 26420522
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26457178
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173831
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-(2-cyanophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2714604
2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553843
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55962436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 26695506) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZZVZFQJRWYEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5S/c24-19-6-2-3-7-20(19)27-22(28)15-32-21-8-4-1-5-18(21)23(29)26-14-13-16-9-11-17(12-10-16)33(25,30)31/h1-12H,13-15H2,(H,26,29)(H,27,28)(H2,25,30,31).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 471.51 g/mol, XLogP of 2.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 26695506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).