N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide

C18H14F4N4O5S — CID 16764158

IUPACN-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H14F4N4O5S/c1-10(27)23-12-4-8-14(9-5-12)32(30,31)25-17(18(20,21)22)15(28)26(16(29)24-17)13-6-2-11(19)3-7-13/h2-9,25H,1H3,(H,23,27)(H,24,29)
InChIKeyJOBWYRDTYQDNAY-UHFFFAOYSA-N
MW474.39 g/mol
LogP2.08
Rot. Bonds5

About N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 16764158) has the molecular formula C18H14F4N4O5S and a molecular weight of 474.39 g/mol. Its IUPAC name is N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID16764158
Molecular FormulaC18H14F4N4O5S
Molecular Weight474.39 g/mol
Exact Mass474.06
IUPAC NameN-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C18H14F4N4O5S/c1-10(27)23-12-4-8-14(9-5-12)32(30,31)25-17(18(20,21)22)15(28)26(16(29)24-17)13-6-2-11(19)3-7-13/h2-9,25H,1H3,(H,23,27)(H,24,29)
InChIKeyJOBWYRDTYQDNAY-UHFFFAOYSA-N
XLogP2.08
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 41026649
4-amino-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 16764162
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 3995576
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2224929
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
N-[4-[(4-fluorophenyl)carbamothioylamino]phenyl]sulfonylacetamide
CID 25044330
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 16764158) is N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is JOBWYRDTYQDNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O5S/c1-10(27)23-12-4-8-14(9-5-12)32(30,31)25-17(18(20,21)22)15(28)26(16(29)24-17)13-6-2-11(19)3-7-13/h2-9,25H,1H3,(H,23,27)(H,24,29).
What are the key properties of N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 474.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 16764158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).