(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

C22H26N4O6S — CID 71814857

IUPAC(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccncc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-8-19(9-13-26)32-18-4-2-17(3-5-18)31-14-16-6-10-23-11-7-16/h2-7,10-11,19H,8-9,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1
InChIKeyJZZAWBZYLOHRQP-JOCHJYFZSA-N
MW474.54 g/mol
LogP1.43
Rot. Bonds8

About (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione

(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 71814857) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID71814857
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccncc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-8-19(9-13-26)32-18-4-2-17(3-5-18)31-14-16-6-10-23-11-7-16/h2-7,10-11,19H,8-9,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1
InChIKeyJZZAWBZYLOHRQP-JOCHJYFZSA-N
XLogP1.43
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 71814857) is (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccncc4)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is JZZAWBZYLOHRQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-8-19(9-13-26)32-18-4-2-17(3-5-18)31-14-16-6-10-23-11-7-16/h2-7,10-11,19H,8-9,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 474.54 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[[4-[4-(pyridin-4-ylmethoxy)phenoxy]piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71814857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).