N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide

C18H17Cl2N3O3S — CID 86877804

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H17Cl2N3O3S/c1-18(12-6-8-27-10-12)16(25)23(17(26)22-18)9-14(24)21-7-5-11-3-2-4-13(19)15(11)20/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,24)(H,22,26)
InChIKeyYYJQJRPHDLSQFN-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide

N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide (PubChem CID 86877804) has the molecular formula C18H17Cl2N3O3S and a molecular weight of 426.33 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
PubChem CID86877804
Molecular FormulaC18H17Cl2N3O3S
Molecular Weight426.33 g/mol
Exact Mass425.04
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccsc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2Cl)C1=O
InChIInChI=1S/C18H17Cl2N3O3S/c1-18(12-6-8-27-10-12)16(25)23(17(26)22-18)9-14(24)21-7-5-11-3-2-4-13(19)15(11)20/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,24)(H,22,26)
InChIKeyYYJQJRPHDLSQFN-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.18
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-(3-chloro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508833
N-(3-chloro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508832
N-(2-chlorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092908
N-[(2-fluorophenyl)methyl]-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52508482
N-(3-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 47092917
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2540696
N-[2-(2-fluorophenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625366
N-[4-(cyanomethyl)phenyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide
CID 51132308
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 7692061
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8005826
N-benzyl-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl]acetamide
CID 52509192

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide (CID 86877804) is N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide is CC1(c2ccsc2)NC(=O)N(CC(=O)NCCc2cccc(Cl)c2Cl)C1=O.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
The InChIKey is YYJQJRPHDLSQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3S/c1-18(12-6-8-27-10-12)16(25)23(17(26)22-18)9-14(24)21-7-5-11-3-2-4-13(19)15(11)20/h2-4,6,8,10H,5,7,9H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide?
N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide has a molecular weight of 426.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-2-(4-methyl-2,5-dioxo-4-thiophen-3-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 86877804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).