(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione

C22H25ClN4O5S — CID 68683199

IUPAC(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCc2cccc(CS(=O)(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)c2)N1
InChIInChI=1S/C22H25ClN4O5S/c23-17-5-7-20(24-13-17)32-18-8-10-27(11-9-18)33(30,31)14-16-3-1-2-15(12-16)4-6-19-21(28)26-22(29)25-19/h1-3,5,7,12-13,18-19H,4,6,8-11,14H2,(H2,25,26,28,29)/t19-/m1/s1
InChIKeyBMOPTXYHKNWMNA-LJQANCHMSA-N
MW492.99 g/mol
LogP2.25
Rot. Bonds8

About (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione

(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 68683199) has the molecular formula C22H25ClN4O5S and a molecular weight of 492.99 g/mol. Its IUPAC name is (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione
PubChem CID68683199
Molecular FormulaC22H25ClN4O5S
Molecular Weight492.99 g/mol
Exact Mass492.12
IUPAC Name(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](CCc2cccc(CS(=O)(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)c2)N1
InChIInChI=1S/C22H25ClN4O5S/c23-17-5-7-20(24-13-17)32-18-8-10-27(11-9-18)33(30,31)14-16-3-1-2-15(12-16)4-6-19-21(28)26-22(29)25-19/h1-3,5,7,12-13,18-19H,4,6,8-11,14H2,(H2,25,26,28,29)/t19-/m1/s1
InChIKeyBMOPTXYHKNWMNA-LJQANCHMSA-N
XLogP2.25
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135489334
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpropan-2-one
CID 23133619
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 23133566
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
3-methyl-6-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]oxypyridazine
CID 90559757
tert-butyl 4-[4-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-2,5-dioxoimidazolidin-4-yl]piperidine-1-carboxylate
CID 66850714
5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-imidazol-1-ylpropyl)imidazolidine-2,4-dione
CID 142664152
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
CID 91593916
5-chloro-2-(1-cyclopropylsulfonylazetidin-3-yl)oxypyridine
CID 122248574
5-methyl-5-[[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
CID 23133451
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 22615791

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione (CID 68683199) is (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H](CCc2cccc(CS(=O)(=O)N3CCC(Oc4ccc(Cl)cn4)CC3)c2)N1.
What is the InChIKey of (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is BMOPTXYHKNWMNA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25ClN4O5S/c23-17-5-7-20(24-13-17)32-18-8-10-27(11-9-18)33(30,31)14-16-3-1-2-15(12-16)4-6-19-21(28)26-22(29)25-19/h1-3,5,7,12-13,18-19H,4,6,8-11,14H2,(H2,25,26,28,29)/t19-/m1/s1.
What are the key properties of (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione?
(5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 492.99 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[3-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]phenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68683199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).