3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

C23H25N3O3S — CID 2954925

IUPAC3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-18(21-7-3-2-4-8-21)26-30(28,29)22-12-9-19(10-13-22)11-14-23(27)25-17-20-6-5-15-24-16-20/h2-10,12-13,15-16,18,26H,11,14,17H2,1H3,(H,25,27)
InChIKeyJDEILBUOXORRHO-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.37
Rot. Bonds9

About 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide

3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2954925) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2954925
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C23H25N3O3S/c1-18(21-7-3-2-4-8-21)26-30(28,29)22-12-9-19(10-13-22)11-14-23(27)25-17-20-6-5-15-24-16-20/h2-10,12-13,15-16,18,26H,11,14,17H2,1H3,(H,25,27)
InChIKeyJDEILBUOXORRHO-UHFFFAOYSA-N
XLogP3.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 2954925) is 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is CC(NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is JDEILBUOXORRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-18(21-7-3-2-4-8-21)26-30(28,29)22-12-9-19(10-13-22)11-14-23(27)25-17-20-6-5-15-24-16-20/h2-10,12-13,15-16,18,26H,11,14,17H2,1H3,(H,25,27).
What are the key properties of 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 423.54 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2954925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).