2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C20H16N4O4S2 — CID 88543999

IUPAC2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1nccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H16N4O4S2/c25-18(13-28-19-17-4-2-1-3-14(17)9-10-21-19)23-15-5-7-16(8-6-15)30(26,27)24-20-22-11-12-29-20/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyYPSNCCQWVNGHGR-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.51
Rot. Bonds7

About 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 88543999) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID88543999
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC Name2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(COc1nccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C20H16N4O4S2/c25-18(13-28-19-17-4-2-1-3-14(17)9-10-21-19)23-15-5-7-16(8-6-15)30(26,27)24-20-22-11-12-29-20/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyYPSNCCQWVNGHGR-UHFFFAOYSA-N
XLogP3.51
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
2-(1H-benzimidazol-2-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544255
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
2-(3-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2135518
N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide
CID 16665835
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1090728
2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4551050
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
4-(2-aminophenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 84553695
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544266
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
2-(1,3-benzodioxol-5-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 17310281

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 88543999) is 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(COc1nccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is YPSNCCQWVNGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c25-18(13-28-19-17-4-2-1-3-14(17)9-10-21-19)23-15-5-7-16(8-6-15)30(26,27)24-20-22-11-12-29-20/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 440.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 88543999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).