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

C19H17F3N4O5S — CID 2965065

IUPACN-[4-[[1-(4-methylphenyl)-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(C)cc3)C2=O)cc1
InChIInChI=1S/C19H17F3N4O5S/c1-11-3-7-14(8-4-11)26-16(28)18(19(20,21)22,24-17(26)29)25-32(30,31)15-9-5-13(6-10-15)23-12(2)27/h3-10,25H,1-2H3,(H,23,27)(H,24,29)
InChIKeyQSGFTHFJPUFUIE-UHFFFAOYSA-N
MW470.43 g/mol
LogP2.25
Rot. Bonds5

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

N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2965065) has the molecular formula C19H17F3N4O5S and a molecular weight of 470.43 g/mol. Its IUPAC name is N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID2965065
Molecular FormulaC19H17F3N4O5S
Molecular Weight470.43 g/mol
Exact Mass470.09
IUPAC NameN-[4-[[1-(4-methylphenyl)-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(C)cc3)C2=O)cc1
InChIInChI=1S/C19H17F3N4O5S/c1-11-3-7-14(8-4-11)26-16(28)18(19(20,21)22,24-17(26)29)25-32(30,31)15-9-5-13(6-10-15)23-12(2)27/h3-10,25H,1-2H3,(H,23,27)(H,24,29)
InChIKeyQSGFTHFJPUFUIE-UHFFFAOYSA-N
XLogP2.25
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 52.25
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

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
P1 Phenyl Ring, 24
CID 21025982
P1 Phenyl Ring, 25
CID 21025984
N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 135144027
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2388085
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 4543616
4-amino-N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 5295050
1-(4-(4-Isopropylpiperazin-1-ylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24895839
N-(4-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372094
N-(4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372745
N-(4-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372871
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
CID 53372872

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 2965065) is N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-methylphenyl)-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(C)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QSGFTHFJPUFUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O5S/c1-11-3-7-14(8-4-11)26-16(28)18(19(20,21)22,24-17(26)29)25-32(30,31)15-9-5-13(6-10-15)23-12(2)27/h3-10,25H,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 470.43 g/mol, XLogP of 2.25, 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-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2965065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).