2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid

C23H25NO5S — CID 19694541

IUPAC2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
SMILESCC(CS(=O)(=O)NCCc1cccc2c(OCC(=O)O)cccc12)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-17(18-7-3-2-4-8-18)16-30(27,28)24-14-13-19-9-5-11-21-20(19)10-6-12-22(21)29-15-23(25)26/h2-12,17,24H,13-16H2,1H3,(H,25,26)
InChIKeyYEOIAFSAFOHWAM-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.57
Rot. Bonds10

About 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid

2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid (PubChem CID 19694541) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
PubChem CID19694541
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid
SMILESCC(CS(=O)(=O)NCCc1cccc2c(OCC(=O)O)cccc12)c1ccccc1
InChIInChI=1S/C23H25NO5S/c1-17(18-7-3-2-4-8-18)16-30(27,28)24-14-13-19-9-5-11-21-20(19)10-6-12-22(21)29-15-23(25)26/h2-12,17,24H,13-16H2,1H3,(H,25,26)
InChIKeyYEOIAFSAFOHWAM-UHFFFAOYSA-N
XLogP3.57
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid (CID 19694541) is 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid is CC(CS(=O)(=O)NCCc1cccc2c(OCC(=O)O)cccc12)c1ccccc1.
What is the InChIKey of 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid?
The InChIKey is YEOIAFSAFOHWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-17(18-7-3-2-4-8-18)16-30(27,28)24-14-13-19-9-5-11-21-20(19)10-6-12-22(21)29-15-23(25)26/h2-12,17,24H,13-16H2,1H3,(H,25,26).
What are the key properties of 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid?
2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid has a molecular weight of 427.52 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2-phenylpropylsulfonylamino)ethyl]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 19694541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).