2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

C25H25N3O4S — CID 40774791

IUPAC2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=O)c1
InChIInChI=1S/C25H25N3O4S/c1-17-12-14-33-22(17)11-13-27-21(16-23(29)26-18-7-4-3-5-8-18)24(30)28(25(27)31)19-9-6-10-20(15-19)32-2/h3-10,12,14-15,21H,11,13,16H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyDCRARQDWTYZLGR-NRFANRHFSA-N
MW463.56 g/mol
LogP4.47
Rot. Bonds8

About 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide

2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 40774791) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
PubChem CID40774791
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=O)c1
InChIInChI=1S/C25H25N3O4S/c1-17-12-14-33-22(17)11-13-27-21(16-23(29)26-18-7-4-3-5-8-18)24(30)28(25(27)31)19-9-6-10-20(15-19)32-2/h3-10,12,14-15,21H,11,13,16H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyDCRARQDWTYZLGR-NRFANRHFSA-N
XLogP4.47
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.47
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-(4-ethoxyphenyl)-2-[(4R)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 26526081
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 92654435
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4917871
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40785156
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40520463
2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 3165084
N-(4-ethylphenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7268892
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
ethyl 4-[[2-[(4R)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698486
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276930
2-[3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3165118
N-(4-ethylphenyl)-2-[(4S)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92742866

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide (CID 40774791) is 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccccc3)N(CCc3sccc3C)C2=O)c1.
What is the InChIKey of 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is DCRARQDWTYZLGR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-17-12-14-33-22(17)11-13-27-21(16-23(29)26-18-7-4-3-5-8-18)24(30)28(25(27)31)19-9-6-10-20(15-19)32-2/h3-10,12,14-15,21H,11,13,16H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide?
2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 463.56 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(3-methoxyphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 40774791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).