2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

C20H23NO5S — CID 25024474

IUPAC2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESCC(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(OCC(=O)O)cc2C1
InChIInChI=1S/C20H23NO5S/c1-13(2)18-5-3-4-6-19(18)27(24,25)21-16-9-14-7-8-17(11-15(14)10-16)26-12-20(22)23/h3-8,11,13,16,21H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBNJXSDOSDABVGS-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.72
Rot. Bonds7

About 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 25024474) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID25024474
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESCC(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(OCC(=O)O)cc2C1
InChIInChI=1S/C20H23NO5S/c1-13(2)18-5-3-4-6-19(18)27(24,25)21-16-9-14-7-8-17(11-15(14)10-16)26-12-20(22)23/h3-8,11,13,16,21H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyBNJXSDOSDABVGS-UHFFFAOYSA-N
XLogP2.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid with MolForge

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Related Compounds

Sulotroban
CID 51550
2-[4-[2-[(3-Ethyl-4-methoxy-7-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 11755122
{2-[(4-Chlorophenyl)sulfonylamino]indan-5-yl}oxyacetic acid
CID 15078392
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-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078398
2-[[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078400
3-[[2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078411
[4-[2-(Phenylsulfonyl)amino]ethyl]phenoxy acetic acid
CID 19018998
2-[4-[1-[[4-(Trifluoromethyl)phenyl]sulfonylamino]propan-2-yl]phenoxy]acetic acid
CID 14579416
2-[4-[1-(Benzenesulfonamido)propan-2-yl]-2-fluorophenoxy]acetic acid
CID 14579417
2-[2-Fluoro-4-[1-[(4-methylphenyl)sulfonylamino]propan-2-yl]phenoxy]acetic acid
CID 14579419

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 25024474) is 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is CC(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(OCC(=O)O)cc2C1.
What is the InChIKey of 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is BNJXSDOSDABVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-13(2)18-5-3-4-6-19(18)27(24,25)21-16-9-14-7-8-17(11-15(14)10-16)26-12-20(22)23/h3-8,11,13,16,21H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 389.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-propan-2-ylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 25024474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).