(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

C20H23ClN2O5S — CID 59485652

IUPAC(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1C[C@H](c2cccc(OCCO)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H23ClN2O5S/c1-29(26,27)12-9-22-14-19(15-3-2-4-18(13-15)28-11-10-24)23(20(22)25)17-7-5-16(21)6-8-17/h2-8,13,19,24H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyDWAAJHGNACZURD-LJQANCHMSA-N
MW438.93 g/mol
LogP2.74
Rot. Bonds8

About (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (PubChem CID 59485652) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
PubChem CID59485652
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1C[C@H](c2cccc(OCCO)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H23ClN2O5S/c1-29(26,27)12-9-22-14-19(15-3-2-4-18(13-15)28-11-10-24)23(20(22)25)17-7-5-16(21)6-8-17/h2-8,13,19,24H,9-12,14H2,1H3/t19-/m1/s1
InChIKeyDWAAJHGNACZURD-LJQANCHMSA-N
XLogP2.74
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (CID 59485652) is (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is CS(=O)(=O)CCN1C[C@H](c2cccc(OCCO)c2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The InChIKey is DWAAJHGNACZURD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-29(26,27)12-9-22-14-19(15-3-2-4-18(13-15)28-11-10-24)23(20(22)25)17-7-5-16(21)6-8-17/h2-8,13,19,24H,9-12,14H2,1H3/t19-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one has a molecular weight of 438.93 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is sourced from PubChem (CID 59485652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).