(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

C14H15F3N2O4S — CID 40880325

IUPAC(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C14H15F3N2O4S/c1-24(22,23)7-6-11-12(20)19(13(21)18-11)8-9-2-4-10(5-3-9)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyFHLJJOUBYOYJAC-LLVKDONJSA-N
MW364.35 g/mol
LogP1.56
Rot. Bonds5

About (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione

(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 40880325) has the molecular formula C14H15F3N2O4S and a molecular weight of 364.35 g/mol. Its IUPAC name is (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID40880325
Molecular FormulaC14H15F3N2O4S
Molecular Weight364.35 g/mol
Exact Mass364.07
IUPAC Name(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C14H15F3N2O4S/c1-24(22,23)7-6-11-12(20)19(13(21)18-11)8-9-2-4-10(5-3-9)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyFHLJJOUBYOYJAC-LLVKDONJSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751097
(5S)-3-[(4-bromophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40750751
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
CID 78880606
(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751131
N-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]ethanesulfonamide
CID 75498380
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557973
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
(5R)-5-(2-methylpropyl)-3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]imidazolidine-2,4-dione
CID 25439287

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione (CID 40880325) is (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is CS(=O)(=O)CC[C@H]1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is FHLJJOUBYOYJAC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3N2O4S/c1-24(22,23)7-6-11-12(20)19(13(21)18-11)8-9-2-4-10(5-3-9)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione?
(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 364.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40880325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).