1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione

C22H31FN2O5S — CID 157177623

IUPAC1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCc1cc(F)c([C@@H](C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)cc1OCC1CC1
InChIInChI=1S/C22H31FN2O5S/c1-15-10-19(23)18(11-20(15)30-13-17-6-7-17)16(2)14-31(28,29)9-5-3-4-8-25-12-21(26)24-22(25)27/h10-11,16-17H,3-9,12-14H2,1-2H3,(H,24,26,27)/t16-/m0/s1
InChIKeyAOEVASILXOZHKC-INIZCTEOSA-N
MW454.56 g/mol
LogP3.16
Rot. Bonds12

About 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione

1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (PubChem CID 157177623) has the molecular formula C22H31FN2O5S and a molecular weight of 454.56 g/mol. Its IUPAC name is 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
PubChem CID157177623
Molecular FormulaC22H31FN2O5S
Molecular Weight454.56 g/mol
Exact Mass454.19
IUPAC Name1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
SMILESCc1cc(F)c([C@@H](C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)cc1OCC1CC1
InChIInChI=1S/C22H31FN2O5S/c1-15-10-19(23)18(11-20(15)30-13-17-6-7-17)16(2)14-31(28,29)9-5-3-4-8-25-12-21(26)24-22(25)27/h10-11,16-17H,3-9,12-14H2,1-2H3,(H,24,26,27)/t16-/m0/s1
InChIKeyAOEVASILXOZHKC-INIZCTEOSA-N
XLogP3.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.16
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'}

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Related Compounds

1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158116112
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-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 161192128
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-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 149254670
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;2-ethoxyethyl(trimethyl)silane
CID 158480271
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146793627
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
1-[5-[2-[4-(cyclopropylmethoxy)-5-fluoro-6-oxo-1H-pyrimidin-2-yl]butylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 160989168
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione (CID 157177623) is 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is Cc1cc(F)c([C@@H](C)CS(=O)(=O)CCCCCN2CC(=O)NC2=O)cc1OCC1CC1.
What is the InChIKey of 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
The InChIKey is AOEVASILXOZHKC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31FN2O5S/c1-15-10-19(23)18(11-20(15)30-13-17-6-7-17)16(2)14-31(28,29)9-5-3-4-8-25-12-21(26)24-22(25)27/h10-11,16-17H,3-9,12-14H2,1-2H3,(H,24,26,27)/t16-/m0/s1.
What are the key properties of 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione?
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione has a molecular weight of 454.56 g/mol, XLogP of 3.16, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157177623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).