2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

C26H30N2O3S — CID 52541663

IUPAC2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)28-32(30,31)19-23-14-12-22(13-15-23)18-27-26(29)25-11-7-6-10-24(25)17-16-21-8-4-3-5-9-21/h3-15,20,28H,16-19H2,1-2H3,(H,27,29)
InChIKeyHOXFFDQDXLOWAM-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.23
Rot. Bonds10

About 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide

2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (PubChem CID 52541663) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
PubChem CID52541663
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1
InChIInChI=1S/C26H30N2O3S/c1-20(2)28-32(30,31)19-23-14-12-22(13-15-23)18-27-26(29)25-11-7-6-10-24(25)17-16-21-8-4-3-5-9-21/h3-15,20,28H,16-19H2,1-2H3,(H,27,29)
InChIKeyHOXFFDQDXLOWAM-UHFFFAOYSA-N
XLogP4.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
2-methyl-6-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 36607768
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952455
2-methylsulfanyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121288
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 36607696
N-[2-(methylamino)propyl]-2-(2-phenylethyl)benzamide;hydrochloride
CID 120831456
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24625349

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide (CID 52541663) is 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
The InChIKey is HOXFFDQDXLOWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20(2)28-32(30,31)19-23-14-12-22(13-15-23)18-27-26(29)25-11-7-6-10-24(25)17-16-21-8-4-3-5-9-21/h3-15,20,28H,16-19H2,1-2H3,(H,27,29).
What are the key properties of 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide?
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide has a molecular weight of 450.60 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 52541663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).