N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C23H25FN4O5S — CID 24549208

IUPACN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C23H25FN4O5S/c1-2-23(17-8-4-3-5-9-17)21(30)28(22(31)25-23)26-20(29)16-7-6-14-27(15-16)34(32,33)19-12-10-18(24)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,25,31)(H,26,29)
InChIKeyHLTJWFOZGLBSCB-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.11
Rot. Bonds6

About N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 24549208) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID24549208
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC NameN-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C23H25FN4O5S/c1-2-23(17-8-4-3-5-9-17)21(30)28(22(31)25-23)26-20(29)16-7-6-14-27(15-16)34(32,33)19-12-10-18(24)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,25,31)(H,26,29)
InChIKeyHLTJWFOZGLBSCB-UHFFFAOYSA-N
XLogP2.11
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 24549208) is N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1=O.
What is the InChIKey of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HLTJWFOZGLBSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-2-23(17-8-4-3-5-9-17)21(30)28(22(31)25-23)26-20(29)16-7-6-14-27(15-16)34(32,33)19-12-10-18(24)11-13-19/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,25,31)(H,26,29).
What are the key properties of N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24549208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).