5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide

C22H26FN3O5S — CID 153312081

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C22H26FN3O5S/c1-16(17-10-11-19(23)20(14-17)31-18-8-4-2-5-9-18)25-32(29,30)13-7-3-6-12-26-15-21(27)24-22(26)28/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeyJIEFFIXJLMJFGO-MRXNPFEDSA-N
MW463.53 g/mol
LogP3.32
Rot. Bonds11

About 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide

5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide (PubChem CID 153312081) has the molecular formula C22H26FN3O5S and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide
PubChem CID153312081
Molecular FormulaC22H26FN3O5S
Molecular Weight463.53 g/mol
Exact Mass463.16
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C22H26FN3O5S/c1-16(17-10-11-19(23)20(14-17)31-18-8-4-2-5-9-18)25-32(29,30)13-7-3-6-12-26-15-21(27)24-22(26)28/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,24,27,28)/t16-/m1/s1
InChIKeyJIEFFIXJLMJFGO-MRXNPFEDSA-N
XLogP3.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
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 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide (CID 153312081) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide?
The InChIKey is JIEFFIXJLMJFGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26FN3O5S/c1-16(17-10-11-19(23)20(14-17)31-18-8-4-2-5-9-18)25-32(29,30)13-7-3-6-12-26-15-21(27)24-22(26)28/h2,4-5,8-11,14,16,25H,3,6-7,12-13,15H2,1H3,(H,24,27,28)/t16-/m1/s1.
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide has a molecular weight of 463.53 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-phenoxyphenyl)ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 153312081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).