2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C26H25NO5S — CID 19694577

IUPAC2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO5S/c28-26(29)17-32-25-16-8-13-21-22(25)14-7-15-24(21)27-33(30,31)18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,8-13,16,18,24,27H,7,14-15,17H2,(H,28,29)
InChIKeyWECWDBZZWATRRE-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.54
Rot. Bonds8

About 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 19694577) has the molecular formula C26H25NO5S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID19694577
Molecular FormulaC26H25NO5S
Molecular Weight463.56 g/mol
Exact Mass463.15
IUPAC Name2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NO5S/c28-26(29)17-32-25-16-8-13-21-22(25)14-7-15-24(21)27-33(30,31)18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,8-13,16,18,24,27H,7,14-15,17H2,(H,28,29)
InChIKeyWECWDBZZWATRRE-UHFFFAOYSA-N
XLogP4.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 19694577) is 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCCC2NS(=O)(=O)C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is WECWDBZZWATRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO5S/c28-26(29)17-32-25-16-8-13-21-22(25)14-7-15-24(21)27-33(30,31)18-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,8-13,16,18,24,27H,7,14-15,17H2,(H,28,29).
What are the key properties of 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 463.56 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,2-diphenylethenylsulfonylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 19694577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).