N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C25H26FN3O5S — CID 55894394

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C25H26FN3O5S/c1-17(18-12-14-19(15-13-18)35(32,33)29(2)3)27-25(31)20-8-4-7-11-23(20)34-16-24(30)28-22-10-6-5-9-21(22)26/h4-15,17H,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyUIOYLXCJKAYLRI-UHFFFAOYSA-N
MW499.56 g/mol
LogP3.58
Rot. Bonds9

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 55894394) has the molecular formula C25H26FN3O5S and a molecular weight of 499.56 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID55894394
Molecular FormulaC25H26FN3O5S
Molecular Weight499.56 g/mol
Exact Mass499.16
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C25H26FN3O5S/c1-17(18-12-14-19(15-13-18)35(32,33)29(2)3)27-25(31)20-8-4-7-11-23(20)34-16-24(30)28-22-10-6-5-9-21(22)26/h4-15,17H,16H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyUIOYLXCJKAYLRI-UHFFFAOYSA-N
XLogP3.58
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402183
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 26695506
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-(2-acetylphenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7859322
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 55894394) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is CC(NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is UIOYLXCJKAYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5S/c1-17(18-12-14-19(15-13-18)35(32,33)29(2)3)27-25(31)20-8-4-7-11-23(20)34-16-24(30)28-22-10-6-5-9-21(22)26/h4-15,17H,16H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 499.56 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55894394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).