ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate

C23H27FN2O7S — CID 142653985

IUPACethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate
SMILESCCOC(=O)C(C)(NC1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O7S/c1-3-32-21(28)22(2,26-23(20(27)25-29)14-4-5-15-23)34(30,31)19-12-10-18(11-13-19)33-17-8-6-16(24)7-9-17/h6-13,26,29H,3-5,14-15H2,1-2H3,(H,25,27)
InChIKeyMUJHSFOFMFWRIC-UHFFFAOYSA-N
MW494.54 g/mol
LogP3.08
Rot. Bonds9

About ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate

ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate (PubChem CID 142653985) has the molecular formula C23H27FN2O7S and a molecular weight of 494.54 g/mol. Its IUPAC name is ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate
PubChem CID142653985
Molecular FormulaC23H27FN2O7S
Molecular Weight494.54 g/mol
Exact Mass494.15
IUPAC Nameethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate
SMILESCCOC(=O)C(C)(NC1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O7S/c1-3-32-21(28)22(2,26-23(20(27)25-29)14-4-5-15-23)34(30,31)19-12-10-18(11-13-19)33-17-8-6-16(24)7-9-17/h6-13,26,29H,3-5,14-15H2,1-2H3,(H,25,27)
InChIKeyMUJHSFOFMFWRIC-UHFFFAOYSA-N
XLogP3.08
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate 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 ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate?
The IUPAC name of ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate (CID 142653985) is ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate?
The canonical SMILES for ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate is CCOC(=O)C(C)(NC1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate?
The InChIKey is MUJHSFOFMFWRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O7S/c1-3-32-21(28)22(2,26-23(20(27)25-29)14-4-5-15-23)34(30,31)19-12-10-18(11-13-19)33-17-8-6-16(24)7-9-17/h6-13,26,29H,3-5,14-15H2,1-2H3,(H,25,27).
What are the key properties of ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate?
ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate has a molecular weight of 494.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-fluorophenoxy)phenyl]sulfonyl-2-[[1-(hydroxycarbamoyl)cyclopentyl]amino]propanoate is sourced from PubChem (CID 142653985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).