2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C24H29N3O4S — CID 55386178

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)NCCSc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-17-4-10-20(11-5-17)32-15-14-25-21(28)16-27-22(29)24(2,26-23(27)30)13-12-18-6-8-19(31-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyQGWRNJSRCNUEJS-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.16
Rot. Bonds10

About 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 55386178) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID55386178
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCOc1ccc(CCC2(C)NC(=O)N(CC(=O)NCCSc3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C24H29N3O4S/c1-17-4-10-20(11-5-17)32-15-14-25-21(28)16-27-22(29)24(2,26-23(27)30)13-12-18-6-8-19(31-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,25,28)(H,26,30)
InChIKeyQGWRNJSRCNUEJS-UHFFFAOYSA-N
XLogP3.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 8608603
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-[2-(4-methoxyphenyl)ethyl]-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42898006
N-(ethylcarbamoyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506964
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55403273
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8507081
N-cyclopropyl-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507131
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 55386178) is 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is COc1ccc(CCC2(C)NC(=O)N(CC(=O)NCCSc3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is QGWRNJSRCNUEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-4-10-20(11-5-17)32-15-14-25-21(28)16-27-22(29)24(2,26-23(27)30)13-12-18-6-8-19(31-3)9-7-18/h4-11H,12-16H2,1-3H3,(H,25,28)(H,26,30).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 55386178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).