2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide

C19H19FN2O5S — CID 42952442

IUPAC2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)CC3C)cc1S(N)(=O)=O
InChIInChI=1S/C19H19FN2O5S/c1-10-3-4-12(8-16(10)28(21,25)26)22-17(24)9-27-15-6-5-13(20)18-11(2)7-14(23)19(15)18/h3-6,8,11H,7,9H2,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyYEHMAVOGTPPXMY-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.49
Rot. Bonds5

About 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide

2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide (PubChem CID 42952442) has the molecular formula C19H19FN2O5S and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
PubChem CID42952442
Molecular FormulaC19H19FN2O5S
Molecular Weight406.44 g/mol
Exact Mass406.10
IUPAC Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)CC3C)cc1S(N)(=O)=O
InChIInChI=1S/C19H19FN2O5S/c1-10-3-4-12(8-16(10)28(21,25)26)22-17(24)9-27-15-6-5-13(20)18-11(2)7-14(23)19(15)18/h3-6,8,11H,7,9H2,1-2H3,(H,22,24)(H2,21,25,26)
InChIKeyYEHMAVOGTPPXMY-UHFFFAOYSA-N
XLogP2.49
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 42927570
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
2-(2-iodophenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 38879249
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39087137
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
CID 24512004
7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-4-fluoro-3-methyl-2,3-dihydroinden-1-one
CID 17467094
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide (CID 42952442) is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(F)c3c2C(=O)CC3C)cc1S(N)(=O)=O.
What is the InChIKey of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The InChIKey is YEHMAVOGTPPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5S/c1-10-3-4-12(8-16(10)28(21,25)26)22-17(24)9-27-15-6-5-13(20)18-11(2)7-14(23)19(15)18/h3-6,8,11H,7,9H2,1-2H3,(H,22,24)(H2,21,25,26).
What are the key properties of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 42952442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).