1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione

C23H32N2O5S — CID 146724482

IUPAC1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione
SMILESCC(C)(C)COc1cccc(C2(CS(=O)(=O)CC/C=C/CN3CC(=O)NC3=O)CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-22(2,3)16-30-19-9-7-8-18(14-19)23(10-11-23)17-31(28,29)13-6-4-5-12-25-15-20(26)24-21(25)27/h4-5,7-9,14H,6,10-13,15-17H2,1-3H3,(H,24,26,27)/b5-4+
InChIKeyRFPYYYMLEUGWED-SNAWJCMRSA-N
MW448.59 g/mol
LogP3.06
Rot. Bonds10

About 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione

1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione (PubChem CID 146724482) has the molecular formula C23H32N2O5S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione
PubChem CID146724482
Molecular FormulaC23H32N2O5S
Molecular Weight448.59 g/mol
Exact Mass448.20
IUPAC Name1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione
SMILESCC(C)(C)COc1cccc(C2(CS(=O)(=O)CC/C=C/CN3CC(=O)NC3=O)CC2)c1
InChIInChI=1S/C23H32N2O5S/c1-22(2,3)16-30-19-9-7-8-18(14-19)23(10-11-23)17-31(28,29)13-6-4-5-12-25-15-20(26)24-21(25)27/h4-5,7-9,14H,6,10-13,15-17H2,1-3H3,(H,24,26,27)/b5-4+
InChIKeyRFPYYYMLEUGWED-SNAWJCMRSA-N
XLogP3.06
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 53.06
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione (CID 146724482) is 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione is CC(C)(C)COc1cccc(C2(CS(=O)(=O)CC/C=C/CN3CC(=O)NC3=O)CC2)c1.
What is the InChIKey of 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione?
The InChIKey is RFPYYYMLEUGWED-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H32N2O5S/c1-22(2,3)16-30-19-9-7-8-18(14-19)23(10-11-23)17-31(28,29)13-6-4-5-12-25-15-20(26)24-21(25)27/h4-5,7-9,14H,6,10-13,15-17H2,1-3H3,(H,24,26,27)/b5-4+.
What are the key properties of 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione?
1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione has a molecular weight of 448.59 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-[[1-[3-(2,2-dimethylpropoxy)phenyl]cyclopropyl]methylsulfonyl]pent-2-enyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146724482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).