N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

C24H22N4O3S — CID 165436996

IUPACN-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cncc2ccc(NC(=O)CCc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C24H22N4O3S/c1-17-15-25-16-19-8-9-20(14-22(17)19)27-24(29)12-7-18-5-10-21(11-6-18)32(30,31)28-23-4-2-3-13-26-23/h2-6,8-11,13-16H,7,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyRXLTZVXQTKGIAT-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.31
Rot. Bonds7

About N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide

N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 165436996) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID165436996
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
SMILESCc1cncc2ccc(NC(=O)CCc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C24H22N4O3S/c1-17-15-25-16-19-8-9-20(14-22(17)19)27-24(29)12-7-18-5-10-21(11-6-18)32(30,31)28-23-4-2-3-13-26-23/h2-6,8-11,13-16H,7,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyRXLTZVXQTKGIAT-UHFFFAOYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide (CID 165436996) is N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is Cc1cncc2ccc(NC(=O)CCc3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12.
What is the InChIKey of N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is RXLTZVXQTKGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-17-15-25-16-19-8-9-20(14-22(17)19)27-24(29)12-7-18-5-10-21(11-6-18)32(30,31)28-23-4-2-3-13-26-23/h2-6,8-11,13-16H,7,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide?
N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 446.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 165436996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).