4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

C21H24FN3O5S — CID 30804847

IUPAC4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C21H24FN3O5S/c1-4-21(15-5-7-16(22)8-6-15)19(26)25(20(27)23-21)13-14-30-17-9-11-18(12-10-17)31(28,29)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyXMCPKXQAUASKRP-OAQYLSRUSA-N
MW449.50 g/mol
LogP2.31
Rot. Bonds8

About 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 30804847) has the molecular formula C21H24FN3O5S and a molecular weight of 449.50 g/mol. Its IUPAC name is 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID30804847
Molecular FormulaC21H24FN3O5S
Molecular Weight449.50 g/mol
Exact Mass449.14
IUPAC Name4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C21H24FN3O5S/c1-4-21(15-5-7-16(22)8-6-15)19(26)25(20(27)23-21)13-14-30-17-9-11-18(12-10-17)31(28,29)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/t21-/m1/s1
InChIKeyXMCPKXQAUASKRP-OAQYLSRUSA-N
XLogP2.31
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 4804726
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628
5-ethyl-5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 46647994
(5S)-3-(2-ethoxyethyl)-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8521699
4-[2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]benzonitrile
CID 42976471
3-[2-(4-fluorophenoxy)ethyl]-5-methyl-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 56684439
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 7620277
3-[2-(2,5-dimethylphenoxy)ethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 112774127
(5R)-5-benzyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 7240283
1-ethyl-2-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 55356946

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 30804847) is 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O.
What is the InChIKey of 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XMCPKXQAUASKRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24FN3O5S/c1-4-21(15-5-7-16(22)8-6-15)19(26)25(20(27)23-21)13-14-30-17-9-11-18(12-10-17)31(28,29)24(2)3/h5-12H,4,13-14H2,1-3H3,(H,23,27)/t21-/m1/s1.
What are the key properties of 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 449.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 30804847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).