1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione

C24H27FN2O5S — CID 162033896

IUPAC1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)c1cccc(CCN2CC(=O)NC2=O)c1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H27FN2O5S/c1-16(19-7-8-21(25)22(12-19)32-14-18-5-6-18)15-33(30,31)20-4-2-3-17(11-20)9-10-27-13-23(28)26-24(27)29/h2-4,7-8,11-12,16,18H,5-6,9-10,13-15H2,1H3,(H,26,28,29)/t16-/m0/s1
InChIKeyYWJVRWBQQVRQNH-INIZCTEOSA-N
MW474.55 g/mol
LogP3.29
Rot. Bonds10

About 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione

1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione (PubChem CID 162033896) has the molecular formula C24H27FN2O5S and a molecular weight of 474.55 g/mol. Its IUPAC name is 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione
PubChem CID162033896
Molecular FormulaC24H27FN2O5S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC Name1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)c1cccc(CCN2CC(=O)NC2=O)c1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C24H27FN2O5S/c1-16(19-7-8-21(25)22(12-19)32-14-18-5-6-18)15-33(30,31)20-4-2-3-17(11-20)9-10-27-13-23(28)26-24(27)29/h2-4,7-8,11-12,16,18H,5-6,9-10,13-15H2,1H3,(H,26,28,29)/t16-/m0/s1
InChIKeyYWJVRWBQQVRQNH-INIZCTEOSA-N
XLogP3.29
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[4-(4-butoxyphenyl)phenyl]sulfonyl-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propan-2-yl]-N-hydroxyformamide
CID 10994897
US10858344, Example 83
CID 124185938
US10858344, Example 81
CID 124186255
US10858344, Example 98
CID 134541528
US10858344, Example 99
CID 153312081
1-[[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]sulfonylphenyl]methyl]pyrimidine-2,4-dione
CID 58218368
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]pyrimidine-2,4-dione
CID 58218423
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(2,4-dioxoimidazolidin-1-yl)butane-1-sulfonamide
CID 124185714
N-[(1S)-1-[3-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 124185718
N-[(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 124185728
N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 124185880
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 124185883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione (CID 162033896) is 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)c1cccc(CCN2CC(=O)NC2=O)c1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is YWJVRWBQQVRQNH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27FN2O5S/c1-16(19-7-8-21(25)22(12-19)32-14-18-5-6-18)15-33(30,31)20-4-2-3-17(11-20)9-10-27-13-23(28)26-24(27)29/h2-4,7-8,11-12,16,18H,5-6,9-10,13-15H2,1H3,(H,26,28,29)/t16-/m0/s1.
What are the key properties of 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione?
1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 474.55 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylphenyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162033896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).