3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

C23H25N3O3S — CID 1297951

IUPAC3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C23H25N3O3S/c27-23(25-18-21-8-4-5-16-24-21)14-11-20-9-12-22(13-10-20)30(28,29)26-17-15-19-6-2-1-3-7-19/h1-10,12-13,16,26H,11,14-15,17-18H2,(H,25,27)
InChIKeyLXJQOINABBPHEU-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.85
Rot. Bonds10

About 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide

3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 1297951) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID1297951
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccccn1
InChIInChI=1S/C23H25N3O3S/c27-23(25-18-21-8-4-5-16-24-21)14-11-20-9-12-22(13-10-20)30(28,29)26-17-15-19-6-2-1-3-7-19/h1-10,12-13,16,26H,11,14-15,17-18H2,(H,25,27)
InChIKeyLXJQOINABBPHEU-UHFFFAOYSA-N
XLogP2.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide (CID 1297951) is 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccccn1.
What is the InChIKey of 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is LXJQOINABBPHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-23(25-18-21-8-4-5-16-24-21)14-11-20-9-12-22(13-10-20)30(28,29)26-17-15-19-6-2-1-3-7-19/h1-10,12-13,16,26H,11,14-15,17-18H2,(H,25,27).
What are the key properties of 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide?
3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 423.54 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 1297951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).