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

C18H23N3O3S — CID 649448

IUPAC3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-11-21-25(23,24)17-8-5-15(6-9-17)7-10-18(22)20-14-16-4-3-12-19-13-16/h3-6,8-9,12-13,21H,2,7,10-11,14H2,1H3,(H,20,22)
InChIKeyRKOLUXDOLGUJQM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.02
Rot. Bonds9

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

3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 649448) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID649448
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-11-21-25(23,24)17-8-5-15(6-9-17)7-10-18(22)20-14-16-4-3-12-19-13-16/h3-6,8-9,12-13,21H,2,7,10-11,14H2,1H3,(H,20,22)
InChIKeyRKOLUXDOLGUJQM-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 649448) is 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is RKOLUXDOLGUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-11-21-25(23,24)17-8-5-15(6-9-17)7-10-18(22)20-14-16-4-3-12-19-13-16/h3-6,8-9,12-13,21H,2,7,10-11,14H2,1H3,(H,20,22).
What are the key properties of 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 649448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).