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

C23H25NO6S — CID 10343365

IUPAC2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2ccccc(OC)c1-2
InChIInChI=1S/C23H25NO6S/c1-3-17-14-21(19-6-4-5-7-20(29-2)23(17)19)31(27,28)24-13-12-16-8-10-18(11-9-16)30-15-22(25)26/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,25,26)
InChIKeyKJGDTIUIPAKSCA-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.35
Rot. Bonds10

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

2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid (PubChem CID 10343365) has the molecular formula C23H25NO6S and a molecular weight of 443.52 g/mol. Its IUPAC name is 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
PubChem CID10343365
Molecular FormulaC23H25NO6S
Molecular Weight443.52 g/mol
Exact Mass443.14
IUPAC Name2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
SMILESCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2ccccc(OC)c1-2
InChIInChI=1S/C23H25NO6S/c1-3-17-14-21(19-6-4-5-7-20(29-2)23(17)19)31(27,28)24-13-12-16-8-10-18(11-9-16)30-15-22(25)26/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,25,26)
InChIKeyKJGDTIUIPAKSCA-UHFFFAOYSA-N
XLogP3.35
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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-Propylazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid
CID 10025551
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-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-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid (CID 10343365) is 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid is CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)O)cc2)c2ccccc(OC)c1-2.
What is the InChIKey of 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
The InChIKey is KJGDTIUIPAKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6S/c1-3-17-14-21(19-6-4-5-7-20(29-2)23(17)19)31(27,28)24-13-12-16-8-10-18(11-9-16)30-15-22(25)26/h4-11,14,24H,3,12-13,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid has a molecular weight of 443.52 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3-ethyl-4-methoxyazulen-1-yl)sulfonylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 10343365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).