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

C16H20N2O5S — CID 7819597

IUPACethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc(CC)c1C
InChIInChI=1S/C16H20N2O5S/c1-4-10-9(3)14(16(22)23-5-2)15(24-10)17-11(19)8-18-12(20)6-7-13(18)21/h4-8H2,1-3H3,(H,17,19)
InChIKeyTYDAQXSKMRKTQR-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.88
Rot. Bonds6

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

ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate (PubChem CID 7819597) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
PubChem CID7819597
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Nameethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc(CC)c1C
InChIInChI=1S/C16H20N2O5S/c1-4-10-9(3)14(16(22)23-5-2)15(24-10)17-11(19)8-18-12(20)6-7-13(18)21/h4-8H2,1-3H3,(H,17,19)
InChIKeyTYDAQXSKMRKTQR-UHFFFAOYSA-N
XLogP1.88
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 4804978
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772093
ethyl 5-ethyl-4-methyl-2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]thiophene-3-carboxylate
CID 16528471
ethyl 2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 4809206
3-[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2091677
ethyl N-[(6R)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 7521840
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238838
ethyl 5-ethyl-4-methyl-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
CID 8631421
ethyl 2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17034983
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate;oxalic acid
CID 45042437
ethyl 5-ethyl-4-methyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 9254393
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 829701

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate (CID 7819597) is ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc(CC)c1C.
What is the InChIKey of ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate?
The InChIKey is TYDAQXSKMRKTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-4-10-9(3)14(16(22)23-5-2)15(24-10)17-11(19)8-18-12(20)6-7-13(18)21/h4-8H2,1-3H3,(H,17,19).
What are the key properties of ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate?
ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate has a molecular weight of 352.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 7819597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).