N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

C23H25N3O5S — CID 40846751

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1
InChIInChI=1S/C23H25N3O5S/c1-16-8-10-17(11-9-16)23(2)21(28)25(22(29)24-23)14-20(27)26(18-6-4-3-5-7-18)19-12-13-32(30,31)15-19/h3-11,19H,12-15H2,1-2H3,(H,24,29)/t19-,23+/m1/s1
InChIKeyHGQCJLYKJKDBTO-XXBNENTESA-N
MW455.54 g/mol
LogP1.98
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 40846751) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID40846751
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1
InChIInChI=1S/C23H25N3O5S/c1-16-8-10-17(11-9-16)23(2)21(28)25(22(29)24-23)14-20(27)26(18-6-4-3-5-7-18)19-12-13-32(30,31)15-19/h3-11,19H,12-15H2,1-2H3,(H,24,29)/t19-,23+/m1/s1
InChIKeyHGQCJLYKJKDBTO-XXBNENTESA-N
XLogP1.98
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.98
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

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7487042
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41256106
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41119736
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41112293
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2646977
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40847111
2-[cyclopropyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 122067032
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97311635
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972934

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 40846751) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is HGQCJLYKJKDBTO-XXBNENTESA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-16-8-10-17(11-9-16)23(2)21(28)25(22(29)24-23)14-20(27)26(18-6-4-3-5-7-18)19-12-13-32(30,31)15-19/h3-11,19H,12-15H2,1-2H3,(H,24,29)/t19-,23+/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 455.54 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 40846751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).