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

C19H25N3O3S — CID 1211089

IUPAC3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-15(2)12-22-26(24,25)18-8-5-16(6-9-18)7-10-19(23)21-14-17-4-3-11-20-13-17/h3-6,8-9,11,13,15,22H,7,10,12,14H2,1-2H3,(H,21,23)
InChIKeyWFLFCBAPPMMVQM-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.26
Rot. Bonds9

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

3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 1211089) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID1211089
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-15(2)12-22-26(24,25)18-8-5-16(6-9-18)7-10-19(23)21-14-17-4-3-11-20-13-17/h3-6,8-9,11,13,15,22H,7,10,12,14H2,1-2H3,(H,21,23)
InChIKeyWFLFCBAPPMMVQM-UHFFFAOYSA-N
XLogP2.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide (CID 1211089) is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WFLFCBAPPMMVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15(2)12-22-26(24,25)18-8-5-16(6-9-18)7-10-19(23)21-14-17-4-3-11-20-13-17/h3-6,8-9,11,13,15,22H,7,10,12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide?
3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 1211089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).