ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C19H25N3O5S — CID 7611052

IUPACethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc(C)c1CC
InChIInChI=1S/C19H25N3O5S/c1-4-12-11(3)28-15(14(12)16(24)27-5-2)20-13(23)10-22-17(25)19(21-18(22)26)8-6-7-9-19/h4-10H2,1-3H3,(H,20,23)(H,21,26)
InChIKeySUCHWDWEIGBLGZ-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.60
Rot. Bonds6

About ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 7611052) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID7611052
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Nameethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc(C)c1CC
InChIInChI=1S/C19H25N3O5S/c1-4-12-11(3)28-15(14(12)16(24)27-5-2)20-13(23)10-22-17(25)19(21-18(22)26)8-6-7-9-19/h4-10H2,1-3H3,(H,20,23)(H,21,26)
InChIKeySUCHWDWEIGBLGZ-UHFFFAOYSA-N
XLogP2.60
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
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 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 7611052) is ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)sc(C)c1CC.
What is the InChIKey of ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is SUCHWDWEIGBLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-4-12-11(3)28-15(14(12)16(24)27-5-2)20-13(23)10-22-17(25)19(21-18(22)26)8-6-7-9-19/h4-10H2,1-3H3,(H,20,23)(H,21,26).
What are the key properties of ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 7611052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).