2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H23N3O4S — CID 43004534

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CSc3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-13-5-10-17(14(2)11-13)29-12-18(25)23-24-19(26)21(3,22-20(24)27)15-6-8-16(28-4)9-7-15/h5-11H,12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeySNRPHUDGXHJEQI-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.90
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 43004534) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID43004534
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(C2(C)NC(=O)N(NC(=O)CSc3ccc(C)cc3C)C2=O)cc1
InChIInChI=1S/C21H23N3O4S/c1-13-5-10-17(14(2)11-13)29-12-18(25)23-24-19(26)21(3,22-20(24)27)15-6-8-16(28-4)9-7-15/h5-11H,12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeySNRPHUDGXHJEQI-UHFFFAOYSA-N
XLogP2.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.90
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

N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42927432
2-(2,4-dimethylphenyl)sulfanyl-N-[(4S)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40813349
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42885091
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 41472125
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42411208
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
N-(2,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16547541
N-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4-(methylsulfanylmethyl)benzamide
CID 9166737
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 55869110
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55446432

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 43004534) is 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(NC(=O)CSc3ccc(C)cc3C)C2=O)cc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is SNRPHUDGXHJEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-5-10-17(14(2)11-13)29-12-18(25)23-24-19(26)21(3,22-20(24)27)15-6-8-16(28-4)9-7-15/h5-11H,12H2,1-4H3,(H,22,27)(H,23,25).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 43004534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).