2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

C20H26FN3O5S — CID 92510445

IUPAC2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C20H26FN3O5S/c1-3-4-9-20(14-5-7-15(21)8-6-14)17(26)24(18(27)23-20)12-16(25)22-19(2)10-11-30(28,29)13-19/h5-8H,3-4,9-13H2,1-2H3,(H,22,25)(H,23,27)/t19-,20-/m0/s1
InChIKeyQYUFTCOSOHXTKX-PMACEKPBSA-N
MW439.51 g/mol
LogP1.46
Rot. Bonds7

About 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 92510445) has the molecular formula C20H26FN3O5S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
PubChem CID92510445
Molecular FormulaC20H26FN3O5S
Molecular Weight439.51 g/mol
Exact Mass439.16
IUPAC Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C20H26FN3O5S/c1-3-4-9-20(14-5-7-15(21)8-6-14)17(26)24(18(27)23-20)12-16(25)22-19(2)10-11-30(28,29)13-19/h5-8H,3-4,9-13H2,1-2H3,(H,22,25)(H,23,27)/t19-,20-/m0/s1
InChIKeyQYUFTCOSOHXTKX-PMACEKPBSA-N
XLogP1.46
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
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
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 7621709
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 41103953
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide (CID 92510445) is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is QYUFTCOSOHXTKX-PMACEKPBSA-N. The full InChI is InChI=1S/C20H26FN3O5S/c1-3-4-9-20(14-5-7-15(21)8-6-14)17(26)24(18(27)23-20)12-16(25)22-19(2)10-11-30(28,29)13-19/h5-8H,3-4,9-13H2,1-2H3,(H,22,25)(H,23,27)/t19-,20-/m0/s1.
What are the key properties of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide?
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 92510445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).