1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione

C23H31FN2O5S — CID 149254670

IUPAC1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CCC2)C(=O)N1
InChIInChI=1S/C23H31FN2O5S/c24-19-8-7-18(13-20(19)31-15-17-5-6-17)23(9-4-10-23)16-32(29,30)12-3-1-2-11-26-14-21(27)25-22(26)28/h7-8,13,17H,1-6,9-12,14-16H2,(H,25,27,28)
InChIKeyXOAWHMRFFWSSOL-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.17
Rot. Bonds12

About 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione

1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione (PubChem CID 149254670) has the molecular formula C23H31FN2O5S and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
PubChem CID149254670
Molecular FormulaC23H31FN2O5S
Molecular Weight466.58 g/mol
Exact Mass466.19
IUPAC Name1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CCC2)C(=O)N1
InChIInChI=1S/C23H31FN2O5S/c24-19-8-7-18(13-20(19)31-15-17-5-6-17)23(9-4-10-23)16-32(29,30)12-3-1-2-11-26-14-21(27)25-22(26)28/h7-8,13,17H,1-6,9-12,14-16H2,(H,25,27,28)
InChIKeyXOAWHMRFFWSSOL-UHFFFAOYSA-N
XLogP3.17
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[5-[[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]piperidin-4-yl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
CID 148703452
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
CID 145227574
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-(4-fluoro-3-hydroxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-(4-fluoro-3-propan-2-yloxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 160794548
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 157177623
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
1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione
CID 149326845
4-(bromomethyl)oxane;1-[5-[(2R)-2-(4-fluoro-3-hydroxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 159735410
1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 161192128

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione (CID 149254670) is 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione is O=C1CN(CCCCCS(=O)(=O)CC2(c3ccc(F)c(OCC4CC4)c3)CCC2)C(=O)N1.
What is the InChIKey of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is XOAWHMRFFWSSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O5S/c24-19-8-7-18(13-20(19)31-15-17-5-6-17)23(9-4-10-23)16-32(29,30)12-3-1-2-11-26-14-21(27)25-22(26)28/h7-8,13,17H,1-6,9-12,14-16H2,(H,25,27,28).
What are the key properties of 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione?
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 466.58 g/mol, XLogP of 3.17, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 149254670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).