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

C22H24F3NO5S — CID 25026861

IUPACmethyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(C(C)C)cc1C(F)(F)F)C2
InChIInChI=1S/C22H24F3NO5S/c1-13(2)14-5-7-20(19(11-14)22(23,24)25)32(28,29)26-17-8-15-4-6-18(10-16(15)9-17)31-12-21(27)30-3/h4-7,10-11,13,17,26H,8-9,12H2,1-3H3
InChIKeyPDACXFOQQFETPL-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.83
Rot. Bonds7

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

methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate (PubChem CID 25026861) has the molecular formula C22H24F3NO5S and a molecular weight of 471.50 g/mol. Its IUPAC name is methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate
PubChem CID25026861
Molecular FormulaC22H24F3NO5S
Molecular Weight471.50 g/mol
Exact Mass471.13
IUPAC Namemethyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(C(C)C)cc1C(F)(F)F)C2
InChIInChI=1S/C22H24F3NO5S/c1-13(2)14-5-7-20(19(11-14)22(23,24)25)32(28,29)26-17-8-15-4-6-18(10-16(15)9-17)31-12-21(27)30-3/h4-7,10-11,13,17,26H,8-9,12H2,1-3H3
InChIKeyPDACXFOQQFETPL-UHFFFAOYSA-N
XLogP3.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078394
2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078396
2-[[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078400
Methyl 2-[3-[3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propyl]phenoxy]acetate
CID 13827047
Ethyl 2-[3-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetate
CID 13938613
2-[4-[1-[[4-(Trifluoromethyl)phenyl]sulfonylamino]propan-2-yl]phenoxy]acetic acid
CID 14579416
Methyl 2-[4-[1-(benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetate
CID 15714035
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 16725046
2-[[5-[1-[(4-Fluorophenyl)sulfonylamino]ethyl]-1,2,3,4,5,6-hexahydrophenanthren-9-yl]oxy]acetic acid
CID 19782183
2-[3-[2-[[4-(Trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid
CID 19805554
2-[[6-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855460
2-[[5-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The IUPAC name of methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate (CID 25026861) is methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate is COC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(C(C)C)cc1C(F)(F)F)C2.
What is the InChIKey of methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
The InChIKey is PDACXFOQQFETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5S/c1-13(2)14-5-7-20(19(11-14)22(23,24)25)32(28,29)26-17-8-15-4-6-18(10-16(15)9-17)31-12-21(27)30-3/h4-7,10-11,13,17,26H,8-9,12H2,1-3H3.
What are the key properties of methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate?
methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate has a molecular weight of 471.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate is sourced from PubChem (CID 25026861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).