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

C20H30FN5O4S — CID 134553976

IUPAC5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C20H30FN5O4S/c1-15(16-5-6-17(21)18(13-16)25-10-7-22-8-11-25)24-31(29,30)12-4-2-3-9-26-14-19(27)23-20(26)28/h5-6,13,15,22,24H,2-4,7-12,14H2,1H3,(H,23,27,28)/t15-/m1/s1
InChIKeyBIQDHJQQRKLBDD-OAHLLOKOSA-N
MW455.56 g/mol
LogP0.94
Rot. Bonds10

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

5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide (PubChem CID 134553976) has the molecular formula C20H30FN5O4S and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
PubChem CID134553976
Molecular FormulaC20H30FN5O4S
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C20H30FN5O4S/c1-15(16-5-6-17(21)18(13-16)25-10-7-22-8-11-25)24-31(29,30)12-4-2-3-9-26-14-19(27)23-20(26)28/h5-6,13,15,22,24H,2-4,7-12,14H2,1H3,(H,23,27,28)/t15-/m1/s1
InChIKeyBIQDHJQQRKLBDD-OAHLLOKOSA-N
XLogP0.94
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide (CID 134553976) is 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide?
The InChIKey is BIQDHJQQRKLBDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30FN5O4S/c1-15(16-5-6-17(21)18(13-16)25-10-7-22-8-11-25)24-31(29,30)12-4-2-3-9-26-14-19(27)23-20(26)28/h5-6,13,15,22,24H,2-4,7-12,14H2,1H3,(H,23,27,28)/t15-/m1/s1.
What are the key properties of 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide?
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide has a molecular weight of 455.56 g/mol, XLogP of 0.94, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-fluoro-3-piperazin-1-ylphenyl)ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 134553976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).