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

C22H23N3O3S — CID 1211209

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C22H23N3O3S/c26-22(24-16-20-7-4-14-23-15-20)13-10-18-8-11-21(12-9-18)29(27,28)25-17-19-5-2-1-3-6-19/h1-9,11-12,14-15,25H,10,13,16-17H2,(H,24,26)
InChIKeyLDQPURBNRXHPMQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.81
Rot. Bonds9

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

3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 1211209) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID1211209
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C22H23N3O3S/c26-22(24-16-20-7-4-14-23-15-20)13-10-18-8-11-21(12-9-18)29(27,28)25-17-19-5-2-1-3-6-19/h1-9,11-12,14-15,25H,10,13,16-17H2,(H,24,26)
InChIKeyLDQPURBNRXHPMQ-UHFFFAOYSA-N
XLogP2.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 1211209) is 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1cccnc1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LDQPURBNRXHPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(24-16-20-7-4-14-23-15-20)13-10-18-8-11-21(12-9-18)29(27,28)25-17-19-5-2-1-3-6-19/h1-9,11-12,14-15,25H,10,13,16-17H2,(H,24,26).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 409.51 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 1211209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).