2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid

C23H25NO5S — CID 10025551

IUPAC2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2cccccc1-2
InChIInChI=1S/C23H25NO5S/c1-2-6-18-15-22(21-8-5-3-4-7-20(18)21)30(27,28)24-14-13-17-9-11-19(12-10-17)29-16-23(25)26/h3-5,7-12,15,24H,2,6,13-14,16H2,1H3,(H,25,26)
InChIKeyIKZMBXISBNQTRV-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.73
Rot. Bonds10

About 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid

2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid (PubChem CID 10025551) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
PubChem CID10025551
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESCCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2cccccc1-2
InChIInChI=1S/C23H25NO5S/c1-2-6-18-15-22(21-8-5-3-4-7-20(18)21)30(27,28)24-14-13-17-9-11-19(12-10-17)29-16-23(25)26/h3-5,7-12,15,24H,2,6,13-14,16H2,1H3,(H,25,26)
InChIKeyIKZMBXISBNQTRV-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

Sulotroban
CID 51550
2-[4-(2-Phenylethylsulfamoyl)phenoxy]acetic acid
CID 3704629
2-[4-[2-[[3,6-Di(propan-2-yl)azulen-1-yl]sulfonylamino]ethyl]phenoxy]acetic acid
CID 9982132
2-[4-[2-[(3-Propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10251927
2-[4-[2-[(3-Ethylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10341662
2-[4-[2-[(3-Ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10343365
2-[4-[2-[(3-Ethyl-7-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10343998
2-[4-[2-[(3-Methyl-6-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10388584
2-[4-[2-[(3-Ethyl-6-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10389301
2-[4-[2-[(6-Propan-2-yl-3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10389951
2-[4-[2-[(3-Butylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10411045
2-[4-[2-[(3-Methyl-7-propan-2-ylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10411046

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid (CID 10025551) is 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid is CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2cccccc1-2.
What is the InChIKey of 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The InChIKey is IKZMBXISBNQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-2-6-18-15-22(21-8-5-3-4-7-20(18)21)30(27,28)24-14-13-17-9-11-19(12-10-17)29-16-23(25)26/h3-5,7-12,15,24H,2,6,13-14,16H2,1H3,(H,25,26).
What are the key properties of 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid has a molecular weight of 427.52 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 10025551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).