N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C21H25N3O3S — CID 2962761

IUPACN-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1sccc1C
InChIInChI=1S/C21H25N3O3S/c1-4-22-19(25)13-17-20(26)24(16-7-5-14(2)6-8-16)21(27)23(17)11-9-18-15(3)10-12-28-18/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,22,25)
InChIKeyDNRGBUCUOUZUEA-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.27
Rot. Bonds7

About N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 2962761) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID2962761
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1sccc1C
InChIInChI=1S/C21H25N3O3S/c1-4-22-19(25)13-17-20(26)24(16-7-5-14(2)6-8-16)21(27)23(17)11-9-18-15(3)10-12-28-18/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,22,25)
InChIKeyDNRGBUCUOUZUEA-UHFFFAOYSA-N
XLogP3.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 2962761) is N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1CCc1sccc1C.
What is the InChIKey of N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is DNRGBUCUOUZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-22-19(25)13-17-20(26)24(16-7-5-14(2)6-8-16)21(27)23(17)11-9-18-15(3)10-12-28-18/h5-8,10,12,17H,4,9,11,13H2,1-3H3,(H,22,25).
What are the key properties of N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(4-methylphenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2962761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).