(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C23H26FN3O6S — CID 71814688

IUPAC(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H26FN3O6S/c1-23(21(28)25-22(29)26-23)15-34(30,31)27-11-9-20(10-12-27)33-19-7-5-18(6-8-19)32-14-16-3-2-4-17(24)13-16/h2-8,13,20H,9-12,14-15H2,1H3,(H2,25,26,28,29)/t23-/m1/s1
InChIKeyBIHFFXMAAJBXAB-HSZRJFAPSA-N
MW491.54 g/mol
LogP2.18
Rot. Bonds8

About (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 71814688) has the molecular formula C23H26FN3O6S and a molecular weight of 491.54 g/mol. Its IUPAC name is (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID71814688
Molecular FormulaC23H26FN3O6S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Name(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H26FN3O6S/c1-23(21(28)25-22(29)26-23)15-34(30,31)27-11-9-20(10-12-27)33-19-7-5-18(6-8-19)32-14-16-3-2-4-17(24)13-16/h2-8,13,20H,9-12,14-15H2,1H3,(H2,25,26,28,29)/t23-/m1/s1
InChIKeyBIHFFXMAAJBXAB-HSZRJFAPSA-N
XLogP2.18
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione 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 (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 71814688) is (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4cccc(F)c4)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BIHFFXMAAJBXAB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26FN3O6S/c1-23(21(28)25-22(29)26-23)15-34(30,31)27-11-9-20(10-12-27)33-19-7-5-18(6-8-19)32-14-16-3-2-4-17(24)13-16/h2-8,13,20H,9-12,14-15H2,1H3,(H2,25,26,28,29)/t23-/m1/s1.
What are the key properties of (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 491.54 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 71814688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).