2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide

C24H21F3N2O4S — CID 25025868

IUPAC2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3)cc1C(F)(F)F)C2
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)21-13-17(15-4-2-1-3-5-15)7-9-22(21)34(31,32)29-19-10-16-6-8-20(12-18(16)11-19)33-14-23(28)30/h1-9,12-13,19,29H,10-11,14H2,(H2,28,30)
InChIKeyCXZNJXAFXFFQOG-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.68
Rot. Bonds7

About 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide

2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (PubChem CID 25025868) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
PubChem CID25025868
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.50 g/mol
Exact Mass490.12
IUPAC Name2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3)cc1C(F)(F)F)C2
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)21-13-17(15-4-2-1-3-5-15)7-9-22(21)34(31,32)29-19-10-16-6-8-20(12-18(16)11-19)33-14-23(28)30/h1-9,12-13,19,29H,10-11,14H2,(H2,28,30)
InChIKeyCXZNJXAFXFFQOG-UHFFFAOYSA-N
XLogP3.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)sulfonyl-2-(6-fluoronaphthalen-2-yl)oxyacetamide
CID 155517921
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 16725046
2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024473
methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 25026861
2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25026863
2-[[2-[[4-bromo-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25026864
2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25026865
2-[[5-[[(4-Fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 53719176
2-[[5-[[(4-Fluorophenyl)sulfonylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 54406213
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 57430770
Methyl{[2-({[5-(phenylsulfonyl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)-2,3-dihydro-1h-inden-5-yl]oxy}acetate
CID 57430776
N-[3-(2,3-dihydro-1H-inden-5-yloxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 59203598

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The IUPAC name of 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (CID 25025868) is 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is NC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3)cc1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The InChIKey is CXZNJXAFXFFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c25-24(26,27)21-13-17(15-4-2-1-3-5-15)7-9-22(21)34(31,32)29-19-10-16-6-8-20(12-18(16)11-19)33-14-23(28)30/h1-9,12-13,19,29H,10-11,14H2,(H2,28,30).
What are the key properties of 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide has a molecular weight of 490.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is sourced from PubChem (CID 25025868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).