3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

C25H27FN2O4S — CID 24554638

IUPAC3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C25H27FN2O4S/c1-18(2)28-33(30,31)17-22-7-4-3-6-21(22)15-27-25(29)20-8-5-9-24(14-20)32-16-19-10-12-23(26)13-11-19/h3-14,18,28H,15-17H2,1-2H3,(H,27,29)
InChIKeyMZRXCTKKYRIVJO-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.16
Rot. Bonds10

About 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 24554638) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID24554638
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C25H27FN2O4S/c1-18(2)28-33(30,31)17-22-7-4-3-6-21(22)15-27-25(29)20-8-5-9-24(14-20)32-16-19-10-12-23(26)13-11-19/h3-14,18,28H,15-17H2,1-2H3,(H,27,29)
InChIKeyMZRXCTKKYRIVJO-UHFFFAOYSA-N
XLogP4.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351
3-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115321
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111231188
3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 31945316
3-[(4-fluorophenyl)methoxy]-N-(2-morpholin-4-ylpropyl)benzamide
CID 55612328

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (CID 24554638) is 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is MZRXCTKKYRIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-18(2)28-33(30,31)17-22-7-4-3-6-21(22)15-27-25(29)20-8-5-9-24(14-20)32-16-19-10-12-23(26)13-11-19/h3-14,18,28H,15-17H2,1-2H3,(H,27,29).
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).