ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate

C23H25N3O5S — CID 42898400

IUPACethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)sc(C)c1-c1ccccc1
InChIInChI=1S/C23H25N3O5S/c1-4-31-20(28)18-17(14-8-6-5-7-9-14)13(2)32-19(18)24-16(27)12-26-21(29)23(3,15-10-11-15)25-22(26)30/h5-9,15H,4,10-12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyGRZZQIPUFDFJRA-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate

ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate (PubChem CID 42898400) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
PubChem CID42898400
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Nameethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)sc(C)c1-c1ccccc1
InChIInChI=1S/C23H25N3O5S/c1-4-31-20(28)18-17(14-8-6-5-7-9-14)13(2)32-19(18)24-16(27)12-26-21(29)23(3,15-10-11-15)25-22(26)30/h5-9,15H,4,10-12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyGRZZQIPUFDFJRA-UHFFFAOYSA-N
XLogP3.56
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
CID 2449414
ethyl 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
CID 2109826
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
ethyl 2-[(2-cyclopentylsulfanylacetyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 7825650
ethyl 2-(4-aminobutanoylamino)-5-methyl-4-phenylthiophene-3-carboxylate
CID 82034028
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119438955
ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2430182
ethyl 2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16544998
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
ethyl 2-[3-[4-(hydroxymethyl)piperidin-1-yl]propanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 112826257
ethyl 5-methyl-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 27158130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate (CID 42898400) is ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)sc(C)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate?
The InChIKey is GRZZQIPUFDFJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-4-31-20(28)18-17(14-8-6-5-7-9-14)13(2)32-19(18)24-16(27)12-26-21(29)23(3,15-10-11-15)25-22(26)30/h5-9,15H,4,10-12H2,1-3H3,(H,24,27)(H,25,30).
What are the key properties of ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate?
ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate has a molecular weight of 455.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate is sourced from PubChem (CID 42898400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).