2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide

C25H23N3O4S — CID 42934924

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-18(29)28-16-15-19-7-5-6-10-23(19)24(28)17-25(30)26-20-11-13-22(14-12-20)33(31,32)27-21-8-3-2-4-9-21/h2-16,24,27H,17H2,1H3,(H,26,30)
InChIKeyOZFFNOPFJVICKM-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 42934924) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
PubChem CID42934924
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H23N3O4S/c1-18(29)28-16-15-19-7-5-6-10-23(19)24(28)17-25(30)26-20-11-13-22(14-12-20)33(31,32)27-21-8-3-2-4-9-21/h2-16,24,27H,17H2,1H3,(H,26,30)
InChIKeyOZFFNOPFJVICKM-UHFFFAOYSA-N
XLogP4.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-phenylacetamide
CID 8870960
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]acetamide
CID 43062362
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25325947
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 51707772
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 39996305
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60552472
N-[4-[1-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]ethyl]phenyl]propanamide
CID 46441324
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 43067104
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-[(2-chlorophenyl)methoxy]phenyl]acetamide
CID 60552694
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 51229591
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26708087

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide (CID 42934924) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide is CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is OZFFNOPFJVICKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-18(29)28-16-15-19-7-5-6-10-23(19)24(28)17-25(30)26-20-11-13-22(14-12-20)33(31,32)27-21-8-3-2-4-9-21/h2-16,24,27H,17H2,1H3,(H,26,30).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 461.54 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[4-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 42934924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).