N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide

C24H26N2O5S2 — CID 17224948

IUPACN-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S2/c1-2-18-32(28,29)23-11-7-6-10-22(23)24(27)26-20-12-14-21(15-13-20)33(30,31)25-17-16-19-8-4-3-5-9-19/h3-15,25H,2,16-18H2,1H3,(H,26,27)
InChIKeyILHCYLXEPPIMRT-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.64
Rot. Bonds10

About N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide

N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide (PubChem CID 17224948) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
PubChem CID17224948
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC NameN-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
SMILESCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H26N2O5S2/c1-2-18-32(28,29)23-11-7-6-10-22(23)24(27)26-20-12-14-21(15-13-20)33(30,31)25-17-16-19-8-4-3-5-9-19/h3-15,25H,2,16-18H2,1H3,(H,26,27)
InChIKeyILHCYLXEPPIMRT-UHFFFAOYSA-N
XLogP3.64
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
2-propylsulfonyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55678185
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
5-bromo-2-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17349933
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide?
The IUPAC name of N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide (CID 17224948) is N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide?
The canonical SMILES for N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide is CCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide?
The InChIKey is ILHCYLXEPPIMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-2-18-32(28,29)23-11-7-6-10-22(23)24(27)26-20-12-14-21(15-13-20)33(30,31)25-17-16-19-8-4-3-5-9-19/h3-15,25H,2,16-18H2,1H3,(H,26,27).
What are the key properties of N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide?
N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide has a molecular weight of 486.62 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethylsulfamoyl)phenyl]-2-propylsulfonylbenzamide is sourced from PubChem (CID 17224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).