(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione

C23H31FN2O5S — CID 147645498

IUPAC(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3C(=O)NC(=O)[C@@H]3C)CC2)ccc1F
InChIInChI=1S/C23H31FN2O5S/c1-16(2)14-31-20-13-18(7-8-19(20)24)23(9-10-23)15-32(29,30)12-6-4-5-11-26-17(3)21(27)25-22(26)28/h4-5,7-8,13,16-17H,6,9-12,14-15H2,1-3H3,(H,25,27,28)/b5-4+/t17-/m0/s1
InChIKeyGIMACFJVFCGCJM-BDUNBXCCSA-N
MW466.58 g/mol
LogP3.19
Rot. Bonds11

About (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione

(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione (PubChem CID 147645498) has the molecular formula C23H31FN2O5S and a molecular weight of 466.58 g/mol. Its IUPAC name is (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione
PubChem CID147645498
Molecular FormulaC23H31FN2O5S
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione
SMILESCC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3C(=O)NC(=O)[C@@H]3C)CC2)ccc1F
InChIInChI=1S/C23H31FN2O5S/c1-16(2)14-31-20-13-18(7-8-19(20)24)23(9-10-23)15-32(29,30)12-6-4-5-11-26-17(3)21(27)25-22(26)28/h4-5,7-8,13,16-17H,6,9-12,14-15H2,1-3H3,(H,25,27,28)/b5-4+/t17-/m0/s1
InChIKeyGIMACFJVFCGCJM-BDUNBXCCSA-N
XLogP3.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-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

1-[(E)-5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclobutylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopentylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-fluoropropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione;1-[5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
CID 158410233
N-[(1R)-1-[4-fluoro-3-(2-methylpropoxy)phenyl]ethyl]-5-(5-methyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155346996
(E)-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)-N-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]pent-3-ene-1-sulfonamide
CID 134553830
1-[(E)-5-[(2R)-2-[3-(2,2-difluoroethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
CID 153172913
3-[(E)-5-[(2R)-2-[3-(2,2-difluoroethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
CID 147397736
(E)-N-[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pent-3-ene-1-sulfonamide
CID 153312136
4-cyclopropylidene-1-[(E)-5-[2-[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pent-2-enyl]-5-methylimidazolidin-2-one
CID 142360422
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione
CID 146724482
1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-1,3-diazinane-2,4-dione
CID 148929930
3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
CID 152958004
1-[3-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]propoxymethyl]-1,3-diazinane-2,4-dione
CID 158986310

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione (CID 147645498) is (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione is CC(C)COc1cc(C2(CS(=O)(=O)CC/C=C/CN3C(=O)NC(=O)[C@@H]3C)CC2)ccc1F.
What is the InChIKey of (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GIMACFJVFCGCJM-BDUNBXCCSA-N. The full InChI is InChI=1S/C23H31FN2O5S/c1-16(2)14-31-20-13-18(7-8-19(20)24)23(9-10-23)15-32(29,30)12-6-4-5-11-26-17(3)21(27)25-22(26)28/h4-5,7-8,13,16-17H,6,9-12,14-15H2,1-3H3,(H,25,27,28)/b5-4+/t17-/m0/s1.
What are the key properties of (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione?
(5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 466.58 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[(E)-5-[[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 147645498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).