2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide

C23H20N4O4S — CID 10114682

IUPAC2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
SMILESNc1nccc2ccc(OCC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12
InChIInChI=1S/C23H20N4O4S/c24-23-20-13-18(10-7-16(20)11-12-26-23)31-14-22(28)27-17-8-5-15(6-9-17)19-3-1-2-4-21(19)32(25,29)30/h1-13H,14H2,(H2,24,26)(H,27,28)(H2,25,29,30)
InChIKeyGSNPIKKCFYDFJU-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.15
Rot. Bonds6

About 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide

2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide (PubChem CID 10114682) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
PubChem CID10114682
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
SMILESNc1nccc2ccc(OCC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12
InChIInChI=1S/C23H20N4O4S/c24-23-20-13-18(10-7-16(20)11-12-26-23)31-14-22(28)27-17-8-5-15(6-9-17)19-3-1-2-4-21(19)32(25,29)30/h1-13H,14H2,(H2,24,26)(H,27,28)(H2,25,29,30)
InChIKeyGSNPIKKCFYDFJU-UHFFFAOYSA-N
XLogP3.15
TPSA137.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide (CID 10114682) is 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The canonical SMILES for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide is Nc1nccc2ccc(OCC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12.
What is the InChIKey of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The InChIKey is GSNPIKKCFYDFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c24-23-20-13-18(10-7-16(20)11-12-26-23)31-14-22(28)27-17-8-5-15(6-9-17)19-3-1-2-4-21(19)32(25,29)30/h1-13H,14H2,(H2,24,26)(H,27,28)(H2,25,29,30).
What are the key properties of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide has a molecular weight of 448.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide is sourced from PubChem (CID 10114682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).