N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

C19H18BrNO5S — CID 167802037

IUPACN-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c2c1C(C)CC2=O
InChIInChI=1S/C19H18BrNO5S/c1-11-3-8-16(19-15(22)9-12(2)18(11)19)26-10-17(23)21-27(24,25)14-6-4-13(20)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,21,23)
InChIKeyGEFVEHSJIHYBJM-UHFFFAOYSA-N
MW452.33 g/mol
LogP3.33
Rot. Bonds5

About N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (PubChem CID 167802037) has the molecular formula C19H18BrNO5S and a molecular weight of 452.33 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
PubChem CID167802037
Molecular FormulaC19H18BrNO5S
Molecular Weight452.33 g/mol
Exact Mass451.01
IUPAC NameN-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c2c1C(C)CC2=O
InChIInChI=1S/C19H18BrNO5S/c1-11-3-8-16(19-15(22)9-12(2)18(11)19)26-10-17(23)21-27(24,25)14-6-4-13(20)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,21,23)
InChIKeyGEFVEHSJIHYBJM-UHFFFAOYSA-N
XLogP3.33
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-4,5-difluorophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369752
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-methylphenyl)sulfonylacetamide
CID 167782230
N-(3,4-dimethoxythiophen-2-yl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
CID 166369441
N-cyclopropyl-2-[[(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 51446448
(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4-bromobenzenesulfonate
CID 24580990
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-[[(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 25485900
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
CID 24582188
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
2-(4-chloro-2-methylphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 14870431

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (CID 167802037) is N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(Br)cc2)c2c1C(C)CC2=O.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is GEFVEHSJIHYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO5S/c1-11-3-8-16(19-15(22)9-12(2)18(11)19)26-10-17(23)21-27(24,25)14-6-4-13(20)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 452.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 167802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).