(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

C24H25ClN4O4S — CID 59485903

IUPAC(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCCc1nccnc1Oc1cccc([C@H]2CN(CCS(C)(=O)=O)C(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN4O4S/c1-3-21-23(27-12-11-26-21)33-20-6-4-5-17(15-20)22-16-28(13-14-34(2,31)32)24(30)29(22)19-9-7-18(25)8-10-19/h4-12,15,22H,3,13-14,16H2,1-2H3/t22-/m1/s1
InChIKeyUOOBKCBQSFBTLB-JOCHJYFZSA-N
MW501.01 g/mol
LogP4.51
Rot. Bonds8

About (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (PubChem CID 59485903) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
PubChem CID59485903
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Name(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCCc1nccnc1Oc1cccc([C@H]2CN(CCS(C)(=O)=O)C(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H25ClN4O4S/c1-3-21-23(27-12-11-26-21)33-20-6-4-5-17(15-20)22-16-28(13-14-34(2,31)32)24(30)29(22)19-9-7-18(25)8-10-19/h4-12,15,22H,3,13-14,16H2,1-2H3/t22-/m1/s1
InChIKeyUOOBKCBQSFBTLB-JOCHJYFZSA-N
XLogP4.51
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The IUPAC name of (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (CID 59485903) is (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is CCc1nccnc1Oc1cccc([C@H]2CN(CCS(C)(=O)=O)C(=O)N2c2ccc(Cl)cc2)c1.
What is the InChIKey of (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The InChIKey is UOOBKCBQSFBTLB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-3-21-23(27-12-11-26-21)33-20-6-4-5-17(15-20)22-16-28(13-14-34(2,31)32)24(30)29(22)19-9-7-18(25)8-10-19/h4-12,15,22H,3,13-14,16H2,1-2H3/t22-/m1/s1.
What are the key properties of (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one has a molecular weight of 501.01 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is sourced from PubChem (CID 59485903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).