N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C26H25N3O3S — CID 2504049

IUPACN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)c(C)c1
InChIInChI=1S/C26H25N3O3S/c1-17-9-14-22(18(2)15-17)33-21-12-10-20(11-13-21)27-23(30)16-29-24(31)26(3,28-25(29)32)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,32)/t26-/m1/s1
InChIKeyFOXAXDSGHRGCOK-AREMUKBSSA-N
MW459.57 g/mol
LogP4.86
Rot. Bonds6

About N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 2504049) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID2504049
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)c(C)c1
InChIInChI=1S/C26H25N3O3S/c1-17-9-14-22(18(2)15-17)33-21-12-10-20(11-13-21)27-23(30)16-29-24(31)26(3,28-25(29)32)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,32)/t26-/m1/s1
InChIKeyFOXAXDSGHRGCOK-AREMUKBSSA-N
XLogP4.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46512781
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
N-(3-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2710976
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 2580694
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 2701920
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7595754
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 2504049) is N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is Cc1ccc(Sc2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is FOXAXDSGHRGCOK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17-9-14-22(18(2)15-17)33-21-12-10-20(11-13-21)27-23(30)16-29-24(31)26(3,28-25(29)32)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,27,30)(H,28,32)/t26-/m1/s1.
What are the key properties of N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2504049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).