1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione

C20H27FN2O5S — CID 147895518

IUPAC1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H27FN2O5S/c1-14(16-6-7-17(21)18(10-16)28-12-15-4-5-15)13-29(26,27)9-3-2-8-23-11-19(24)22-20(23)25/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,22,24,25)/t14-/m0/s1
InChIKeyIDFOFYILRDWGRD-AWEZNQCLSA-N
MW426.51 g/mol
LogP2.46
Rot. Bonds11

About 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione

1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione (PubChem CID 147895518) has the molecular formula C20H27FN2O5S and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione
PubChem CID147895518
Molecular FormulaC20H27FN2O5S
Molecular Weight426.51 g/mol
Exact Mass426.16
IUPAC Name1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H27FN2O5S/c1-14(16-6-7-17(21)18(10-16)28-12-15-4-5-15)13-29(26,27)9-3-2-8-23-11-19(24)22-20(23)25/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,22,24,25)/t14-/m0/s1
InChIKeyIDFOFYILRDWGRD-AWEZNQCLSA-N
XLogP2.46
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione (CID 147895518) is 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCCN1CC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione?
The InChIKey is IDFOFYILRDWGRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27FN2O5S/c1-14(16-6-7-17(21)18(10-16)28-12-15-4-5-15)13-29(26,27)9-3-2-8-23-11-19(24)22-20(23)25/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3,(H,22,24,25)/t14-/m0/s1.
What are the key properties of 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione?
1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione has a molecular weight of 426.51 g/mol, XLogP of 2.46, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylbutyl]imidazolidine-2,4-dione is sourced from PubChem (CID 147895518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).