ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C23H26ClN3O5S — CID 42898024

IUPACethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(c3cccc(Cl)c3)C2=O)sc(C)c1CC
InChIInChI=1S/C23H26ClN3O5S/c1-5-16-13(4)33-19(18(16)20(29)32-7-3)25-17(28)12-27-21(30)23(6-2,26-22(27)31)14-9-8-10-15(24)11-14/h8-11H,5-7,12H2,1-4H3,(H,25,28)(H,26,31)
InChIKeyMYRNDMRJNUECKW-UHFFFAOYSA-N
MW492.00 g/mol
LogP4.24
Rot. Bonds8

About ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 42898024) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID42898024
Molecular FormulaC23H26ClN3O5S
Molecular Weight492.00 g/mol
Exact Mass491.13
IUPAC Nameethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(c3cccc(Cl)c3)C2=O)sc(C)c1CC
InChIInChI=1S/C23H26ClN3O5S/c1-5-16-13(4)33-19(18(16)20(29)32-7-3)25-17(28)12-27-21(30)23(6-2,26-22(27)31)14-9-8-10-15(24)11-14/h8-11H,5-7,12H2,1-4H3,(H,25,28)(H,26,31)
InChIKeyMYRNDMRJNUECKW-UHFFFAOYSA-N
XLogP4.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
ethyl 4-ethyl-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 55304259
ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 41082088
ethyl 5-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30795038
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 47004332
ethyl 4-ethyl-5-methyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate
CID 40881144
(5S)-5-(3-chlorophenyl)-5-ethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]imidazolidine-2,4-dione
CID 7594320
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
ethyl 2-[[2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2107895
ethyl (6S)-2-[[2-[(4S)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 39950264
ethyl (6S)-2-[[2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 39950265
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 42898024) is ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(c3cccc(Cl)c3)C2=O)sc(C)c1CC.
What is the InChIKey of ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is MYRNDMRJNUECKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-5-16-13(4)33-19(18(16)20(29)32-7-3)25-17(28)12-27-21(30)23(6-2,26-22(27)31)14-9-8-10-15(24)11-14/h8-11H,5-7,12H2,1-4H3,(H,25,28)(H,26,31).
What are the key properties of ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 492.00 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 42898024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).