2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C16H18ClN3O5S — CID 2646960

IUPAC2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C16H18ClN3O5S/c1-16(10-2-4-11(17)5-3-10)14(22)20(15(23)19-16)8-13(21)18-12-6-7-26(24,25)9-12/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)/t12-,16-/m1/s1
InChIKeyQYHCDYHVZPTIJY-MLGOLLRUSA-N
MW399.86 g/mol
LogP0.41
Rot. Bonds4

About 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 2646960) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID2646960
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C16H18ClN3O5S/c1-16(10-2-4-11(17)5-3-10)14(22)20(15(23)19-16)8-13(21)18-12-6-7-26(24,25)9-12/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)/t12-,16-/m1/s1
InChIKeyQYHCDYHVZPTIJY-MLGOLLRUSA-N
XLogP0.41
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 50.41
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

5-(4-Chlorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2999552
N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(4-methyl-4-(naphthalen-1-yl)-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4882187
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 5028873
5-(5-Chloro-2-ethylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312637
5-(5-Chloro-2-propylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312638
5-(5-Chloro-2-propan-2-ylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312639
5-[5-Chloro-2-[(4-chlorophenyl)methylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312643
5-[5-Chloro-2-[2-(4-chlorophenyl)ethylsulfonyl]phenyl]imidazolidine-2,4-dione
CID 13312644
5-(5-Chloro-2-pentylsulfonylphenyl)imidazolidine-2,4-dione
CID 13312668
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16320755
N-(1,1-dioxothiolan-3-yl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 24979222
5-(5-Chloro-2-hexylsulfonylphenyl)imidazolidine-2,4-dione
CID 44272420

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 2646960) is 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is QYHCDYHVZPTIJY-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c1-16(10-2-4-11(17)5-3-10)14(22)20(15(23)19-16)8-13(21)18-12-6-7-26(24,25)9-12/h2-5,12H,6-9H2,1H3,(H,18,21)(H,19,23)/t12-,16-/m1/s1.
What are the key properties of 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 399.86 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 2646960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).