(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

C25H26ClN5O5S — CID 69048222

IUPAC(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@](CCS(=O)(=O)N2CCOCC2)(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O5S/c26-20-4-6-21(7-5-20)31-24(32)29-18-25(31,8-15-37(33,34)30-11-13-35-14-12-30)19-2-1-3-22(16-19)36-23-17-27-9-10-28-23/h1-7,9-10,16-17H,8,11-15,18H2,(H,29,32)/t25-/m1/s1
InChIKeyDZLQGYHTWNPBBM-RUZDIDTESA-N
MW544.03 g/mol
LogP3.40
Rot. Bonds8

About (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 69048222) has the molecular formula C25H26ClN5O5S and a molecular weight of 544.03 g/mol. Its IUPAC name is (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
PubChem CID69048222
Molecular FormulaC25H26ClN5O5S
Molecular Weight544.03 g/mol
Exact Mass543.13
IUPAC Name(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1NC[C@](CCS(=O)(=O)N2CCOCC2)(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN5O5S/c26-20-4-6-21(7-5-20)31-24(32)29-18-25(31,8-15-37(33,34)30-11-13-35-14-12-30)19-2-1-3-22(16-19)36-23-17-27-9-10-28-23/h1-7,9-10,16-17H,8,11-15,18H2,(H,29,32)/t25-/m1/s1
InChIKeyDZLQGYHTWNPBBM-RUZDIDTESA-N
XLogP3.40
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.03
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (CID 69048222) is (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is O=C1NC[C@](CCS(=O)(=O)N2CCOCC2)(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is DZLQGYHTWNPBBM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26ClN5O5S/c26-20-4-6-21(7-5-20)31-24(32)29-18-25(31,8-15-37(33,34)30-11-13-35-14-12-30)19-2-1-3-22(16-19)36-23-17-27-9-10-28-23/h1-7,9-10,16-17H,8,11-15,18H2,(H,29,32)/t25-/m1/s1.
What are the key properties of (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
(5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 544.03 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-chlorophenyl)-5-(2-morpholin-4-ylsulfonylethyl)-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 69048222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).