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

C23H27N3O6S — CID 71814508

IUPAC(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H27N3O6S/c1-23(21(27)24-22(28)25-23)16-33(29,30)26-13-11-20(12-14-26)32-19-9-7-18(8-10-19)31-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,24,25,27,28)/t23-/m1/s1
InChIKeyHEKVSVDHQDDIEK-HSZRJFAPSA-N
MW473.55 g/mol
LogP2.04
Rot. Bonds8

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

(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 71814508) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID71814508
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESC[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O
InChIInChI=1S/C23H27N3O6S/c1-23(21(27)24-22(28)25-23)16-33(29,30)26-13-11-20(12-14-26)32-19-9-7-18(8-10-19)31-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,24,25,27,28)/t23-/m1/s1
InChIKeyHEKVSVDHQDDIEK-HSZRJFAPSA-N
XLogP2.04
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione (CID 71814508) is (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccccc4)cc3)CC2)NC(=O)NC1=O.
What is the InChIKey of (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is HEKVSVDHQDDIEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-23(21(27)24-22(28)25-23)16-33(29,30)26-13-11-20(12-14-26)32-19-9-7-18(8-10-19)31-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,24,25,27,28)/t23-/m1/s1.
What are the key properties of (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 473.55 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71814508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).