2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide

C21H24FN3O3S — CID 7620682

IUPAC2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O
InChIInChI=1S/C21H24FN3O3S/c1-3-4-11-21(15-7-9-16(22)10-8-15)19(27)25(20(28)24-21)13-18(26)23-14(2)17-6-5-12-29-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)(H,24,28)/t14-,21+/m1/s1
InChIKeyAERMPELWWDOWMC-SZNDQCEHSA-N
MW417.51 g/mol
LogP3.70
Rot. Bonds8

About 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (PubChem CID 7620682) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
PubChem CID7620682
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O
InChIInChI=1S/C21H24FN3O3S/c1-3-4-11-21(15-7-9-16(22)10-8-15)19(27)25(20(28)24-21)13-18(26)23-14(2)17-6-5-12-29-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)(H,24,28)/t14-,21+/m1/s1
InChIKeyAERMPELWWDOWMC-SZNDQCEHSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.70
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

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 112774012
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7622192
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 7264635
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181386

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide (CID 7620682) is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)c2cccs2)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is AERMPELWWDOWMC-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-3-4-11-21(15-7-9-16(22)10-8-15)19(27)25(20(28)24-21)13-18(26)23-14(2)17-6-5-12-29-17/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)(H,24,28)/t14-,21+/m1/s1.
What are the key properties of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide?
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 7620682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).