N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

C22H21N5O3S — CID 40811560

IUPACN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C22H21N5O3S/c1-3-22(2)20(29)27(21(30)23-22)26-17(28)13-31-19-16-12-8-7-11-15(16)18(24-25-19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,23,30)(H,26,28)/t22-/m1/s1
InChIKeySQYDBGIPVGCCEQ-JOCHJYFZSA-N
MW435.51 g/mol
LogP3.14
Rot. Bonds6

About N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (PubChem CID 40811560) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
PubChem CID40811560
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)C1=O
InChIInChI=1S/C22H21N5O3S/c1-3-22(2)20(29)27(21(30)23-22)26-17(28)13-31-19-16-12-8-7-11-15(16)18(24-25-19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,23,30)(H,26,28)/t22-/m1/s1
InChIKeySQYDBGIPVGCCEQ-JOCHJYFZSA-N
XLogP3.14
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46693871
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 18276311
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40792762
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 102556207
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55400511
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46639781
2-(4-phenylphthalazin-1-yl)sulfanyl-N-[(2R)-2-phenylpropyl]acetamide
CID 7580429
N-(3,5-dimethylphenyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580579
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 8023932
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46574911

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide (CID 40811560) is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The canonical SMILES for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc23)C1=O.
What is the InChIKey of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
The InChIKey is SQYDBGIPVGCCEQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-22(2)20(29)27(21(30)23-22)26-17(28)13-31-19-16-12-8-7-11-15(16)18(24-25-19)14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3,(H,23,30)(H,26,28)/t22-/m1/s1.
What are the key properties of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide?
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide has a molecular weight of 435.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide is sourced from PubChem (CID 40811560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).