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

C13H13F3N4O5S — CID 2220238

IUPACN-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13F3N4O5S/c1-7(21)17-8-3-5-9(6-4-8)26(24,25)19-12(13(14,15)16)10(22)20(2)11(23)18-12/h3-6,19H,1-2H3,(H,17,21)(H,18,23)/t12-/m1/s1
InChIKeyRAARLOIRHXNVNP-GFCCVEGCSA-N
MW394.33 g/mol
LogP0.36
Rot. Bonds4

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

N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2220238) has the molecular formula C13H13F3N4O5S and a molecular weight of 394.33 g/mol. Its IUPAC name is N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID2220238
Molecular FormulaC13H13F3N4O5S
Molecular Weight394.33 g/mol
Exact Mass394.06
IUPAC NameN-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C)C2=O)cc1
InChIInChI=1S/C13H13F3N4O5S/c1-7(21)17-8-3-5-9(6-4-8)26(24,25)19-12(13(14,15)16)10(22)20(2)11(23)18-12/h3-6,19H,1-2H3,(H,17,21)(H,18,23)/t12-/m1/s1
InChIKeyRAARLOIRHXNVNP-GFCCVEGCSA-N
XLogP0.36
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 50.36
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-[[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 16764158
N-[4-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)sulfonyl]phenyl]acetamide
CID 27396707
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 41026649
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[(3R)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2220229
N-[4-[[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]sulfamoyl]phenyl]acetamide
CID 2965057
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfamoyl]phenyl]acetamide
CID 5193248
N-[4-[[(5R)-1-(3-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl]phenyl]acetamide
CID 98078793
N-[4-[[1-cyclohexyl-4,6-dioxo-2-sulfanylidene-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl]phenyl]acetamide
CID 2978368
N-(4-acetamidophenyl)sulfonyl-3-methylbut-2-enamide
CID 47232028

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 2220238) is N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C)C2=O)cc1.
What is the InChIKey of N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is RAARLOIRHXNVNP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13F3N4O5S/c1-7(21)17-8-3-5-9(6-4-8)26(24,25)19-12(13(14,15)16)10(22)20(2)11(23)18-12/h3-6,19H,1-2H3,(H,17,21)(H,18,23)/t12-/m1/s1.
What are the key properties of N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 394.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2220238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).