2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

C13H14FN3O5S — CID 72854238

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O5S/c14-9-1-3-10(4-2-9)23(21,22)6-5-15-11(18)8-17-12(19)7-16-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,20)
InChIKeyIFKRKUCQQHWORL-UHFFFAOYSA-N
MW343.34 g/mol
LogP-0.73
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (PubChem CID 72854238) has the molecular formula C13H14FN3O5S and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
PubChem CID72854238
Molecular FormulaC13H14FN3O5S
Molecular Weight343.34 g/mol
Exact Mass343.06
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3O5S/c14-9-1-3-10(4-2-9)23(21,22)6-5-15-11(18)8-17-12(19)7-16-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,20)
InChIKeyIFKRKUCQQHWORL-UHFFFAOYSA-N
XLogP-0.73
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55027475
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 71941577
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
2-(6-fluoro-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 71703290
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
N-[2-(4-fluorophenyl)sulfonylethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77096473
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 118785041
1-tert-butyl-N-[2-(4-fluorophenyl)sulfonylethyl]-5-oxopyrrolidine-3-carboxamide
CID 46978089

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide (CID 72854238) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is O=C(CN1C(=O)CNC1=O)NCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
The InChIKey is IFKRKUCQQHWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O5S/c14-9-1-3-10(4-2-9)23(21,22)6-5-15-11(18)8-17-12(19)7-16-13(17)20/h1-4H,5-8H2,(H,15,18)(H,16,20).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide has a molecular weight of 343.34 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide is sourced from PubChem (CID 72854238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).