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

C55H90F2N4O12S2Si2 — CID 158480271

IUPAC1-[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
SMILESCCOCC[Si](C)(C)C.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)N(COCC[Si](C)(C)C)C1=O)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C27H43FN2O6SSi.C21H29FN2O5S.C7H18OSi/c1-21(23-10-11-24(28)25(16-23)36-18-22-8-9-22)19-37(33,34)14-7-5-6-12-29-17-26(31)30(27(29)32)20-35-13-15-38(2,3)4;1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26;1-5-8-6-7-9(2,3)4/h10-11,16,21-22H,5-9,12-15,17-20H2,1-4H3;7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26);5-7H2,1-4H3/t21-;15-;/m00./s1
InChIKeyHHLBVUTUDYMDAT-DMMRTPBOSA-N
MW1157.64 g/mol
LogP10.10
Rot. Bonds33

About 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

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 (PubChem CID 158480271) has the molecular formula C55H90F2N4O12S2Si2 and a molecular weight of 1157.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158480271
Molecular FormulaC55H90F2N4O12S2Si2
Molecular Weight1157.64 g/mol
Exact Mass1156.55
IUPAC Name1-[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
SMILESCCOCC[Si](C)(C)C.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)N(COCC[Si](C)(C)C)C1=O)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C27H43FN2O6SSi.C21H29FN2O5S.C7H18OSi/c1-21(23-10-11-24(28)25(16-23)36-18-22-8-9-22)19-37(33,34)14-7-5-6-12-29-17-26(31)30(27(29)32)20-35-13-15-38(2,3)4;1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26;1-5-8-6-7-9(2,3)4/h10-11,16,21-22H,5-9,12-15,17-20H2,1-4H3;7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26);5-7H2,1-4H3/t21-;15-;/m00./s1
InChIKeyHHLBVUTUDYMDAT-DMMRTPBOSA-N
XLogP10.10
TPSA195.23 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.64
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[[3-(Cyclopropylmethoxy)-4-fluorophenyl]methyl]-8-(2,4-dioxoimidazolidin-1-yl)octane-4-sulfonamide
CID 135186510
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4,5-trione
CID 146741581
1-[5-[2-[3-(Cyclopropylmethoxy)-4-fluorophenyl]-3,3-dimethylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146861116
3-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146872311
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147150908
1-[5-[2-[3-(Cyclopropylmethoxy)-4-fluorophenyl]-3-methylbutyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147150909
1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147151917
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147172010
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-(1-methylpyrrolidin-3-yl)ethyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147362167
1-[5-[2-[4-Fluoro-3-(2-methylpropoxy)phenyl]-2-methylpropyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147475355
1-[5-[(2R)-2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 147675838
1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione
CID 147895518

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOCC[Si](C)(C)C.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)N(COCC[Si](C)(C)C)C1=O)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 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?
The InChIKey is HHLBVUTUDYMDAT-DMMRTPBOSA-N. The full InChI is InChI=1S/C27H43FN2O6SSi.C21H29FN2O5S.C7H18OSi/c1-21(23-10-11-24(28)25(16-23)36-18-22-8-9-22)19-37(33,34)14-7-5-6-12-29-17-26(31)30(27(29)32)20-35-13-15-38(2,3)4;1-15(17-7-8-18(22)19(11-17)29-13-16-5-6-16)14-30(27,28)10-4-2-3-9-24-12-20(25)23-21(24)26;1-5-8-6-7-9(2,3)4/h10-11,16,21-22H,5-9,12-15,17-20H2,1-4H3;7-8,11,15-16H,2-6,9-10,12-14H2,1H3,(H,23,25,26);5-7H2,1-4H3/t21-;15-;/m00./s1.
What are the key properties of 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?
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 has a molecular weight of 1157.64 g/mol, XLogP of 10.10, 33 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158480271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).