N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide

C19H18F3N3O4S — CID 2962093

IUPACN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18F3N3O4S/c1-13-7-9-15(10-8-13)30(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-14-5-3-2-4-6-14/h2-10,24H,11-12H2,1H3,(H,23,27)
InChIKeyLMTMJGGMEPSGSO-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.33
Rot. Bonds6

About N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 2962093) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID2962093
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1
InChIInChI=1S/C19H18F3N3O4S/c1-13-7-9-15(10-8-13)30(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-14-5-3-2-4-6-14/h2-10,24H,11-12H2,1H3,(H,23,27)
InChIKeyLMTMJGGMEPSGSO-UHFFFAOYSA-N
XLogP2.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 2216971
4-amino-N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 2980031
N-[1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 46500675
N-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 92651708
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
N-[4-[[(4R)-1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
CID 2220238
4-chloro-N-[1-(2-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 3995576
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-methylbenzenesulfonamide
CID 92651711
4-amino-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 16764162
4-amino-N-[(4R)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzenesulfonamide
CID 41026649
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-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide (CID 2962093) is N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccccc3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is LMTMJGGMEPSGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c1-13-7-9-15(10-8-13)30(28,29)24-18(19(20,21)22)16(26)25(17(27)23-18)12-11-14-5-3-2-4-6-14/h2-10,24H,11-12H2,1H3,(H,23,27).
What are the key properties of N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide?
N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 441.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2962093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).