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

C21H23F3N2O4S — CID 25026865

IUPAC2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2Cc3ccc(OCC(N)=O)cc3C2)c(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O4S/c1-12(2)13-4-6-19(18(10-13)21(22,23)24)31(28,29)26-16-7-14-3-5-17(9-15(14)8-16)30-11-20(25)27/h3-6,9-10,12,16,26H,7-8,11H2,1-2H3,(H2,25,27)
InChIKeyBPKGBZCNBIMTDP-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.14
Rot. Bonds7

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

2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (PubChem CID 25026865) has the molecular formula C21H23F3N2O4S and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
PubChem CID25026865
Molecular FormulaC21H23F3N2O4S
Molecular Weight456.49 g/mol
Exact Mass456.13
IUPAC Name2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NC2Cc3ccc(OCC(N)=O)cc3C2)c(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O4S/c1-12(2)13-4-6-19(18(10-13)21(22,23)24)31(28,29)26-16-7-14-3-5-17(9-15(14)8-16)30-11-20(25)27/h3-6,9-10,12,16,26H,7-8,11H2,1-2H3,(H2,25,27)
InChIKeyBPKGBZCNBIMTDP-UHFFFAOYSA-N
XLogP3.14
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The IUPAC name of 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (CID 25026865) is 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is CC(C)c1ccc(S(=O)(=O)NC2Cc3ccc(OCC(N)=O)cc3C2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The InChIKey is BPKGBZCNBIMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4S/c1-12(2)13-4-6-19(18(10-13)21(22,23)24)31(28,29)26-16-7-14-3-5-17(9-15(14)8-16)30-11-20(25)27/h3-6,9-10,12,16,26H,7-8,11H2,1-2H3,(H2,25,27).
What are the key properties of 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide has a molecular weight of 456.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is sourced from PubChem (CID 25026865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).