2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide

C20H21NO5S — CID 167782230

IUPAC2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)COc1ccc(C)c2c1C(=O)CC2C
InChIInChI=1S/C20H21NO5S/c1-12-6-4-5-7-17(12)27(24,25)21-18(23)11-26-16-9-8-13(2)19-14(3)10-15(22)20(16)19/h4-9,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyWZKAIEFPLIDNGG-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.88
Rot. Bonds5

About 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide

2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide (PubChem CID 167782230) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
PubChem CID167782230
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Name2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)COc1ccc(C)c2c1C(=O)CC2C
InChIInChI=1S/C20H21NO5S/c1-12-6-4-5-7-17(12)27(24,25)21-18(23)11-26-16-9-8-13(2)19-14(3)10-15(22)20(16)19/h4-9,14H,10-11H2,1-3H3,(H,21,23)
InChIKeyWZKAIEFPLIDNGG-UHFFFAOYSA-N
XLogP2.88
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 167802037
N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369441
N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 51446448
N-[5-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 167895405
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-iodophenyl)acetamide
CID 24582153
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
2-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
N'-[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 42944086
3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
CID 24582188
7-[2-(2-acetylphenoxy)ethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one
CID 16580744

Frequently Asked Questions

What is the IUPAC name of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide (CID 167782230) is 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide is Cc1ccccc1S(=O)(=O)NC(=O)COc1ccc(C)c2c1C(=O)CC2C.
What is the InChIKey of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide?
The InChIKey is WZKAIEFPLIDNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-12-6-4-5-7-17(12)27(24,25)21-18(23)11-26-16-9-8-13(2)19-14(3)10-15(22)20(16)19/h4-9,14H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide?
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide has a molecular weight of 387.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 167782230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).