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

C15H19N3O5S — CID 2415376

IUPACethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)CN(C)C2=O)sc(C)c1C
InChIInChI=1S/C15H19N3O5S/c1-5-23-14(21)12-8(2)9(3)24-13(12)16-10(19)6-18-11(20)7-17(4)15(18)22/h5-7H2,1-4H3,(H,16,19)
InChIKeyZTPBGTBSPRYLOF-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.37
Rot. Bonds5

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

ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 2415376) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID2415376
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Nameethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)CN(C)C2=O)sc(C)c1C
InChIInChI=1S/C15H19N3O5S/c1-5-23-14(21)12-8(2)9(3)24-13(12)16-10(19)6-18-11(20)7-17(4)15(18)22/h5-7H2,1-4H3,(H,16,19)
InChIKeyZTPBGTBSPRYLOF-UHFFFAOYSA-N
XLogP1.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 2415376) is ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)CN(C)C2=O)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is ZTPBGTBSPRYLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-5-23-14(21)12-8(2)9(3)24-13(12)16-10(19)6-18-11(20)7-17(4)15(18)22/h5-7H2,1-4H3,(H,16,19).
What are the key properties of ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 353.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).