ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate

C20H27N3O5S — CID 7265172

IUPACethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C20H27N3O5S/c1-4-13-10-14(17(25)28-5-2)16(29-13)21-15(24)11-23-18(26)20(22-19(23)27)9-7-6-8-12(20)3/h10,12H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)/t12-,20+/m0/s1
InChIKeyIEBGIFAAHPMGSI-FKIZINRSSA-N
MW421.52 g/mol
LogP2.93
Rot. Bonds6

About ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate (PubChem CID 7265172) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate
PubChem CID7265172
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Nameethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C20H27N3O5S/c1-4-13-10-14(17(25)28-5-2)16(29-13)21-15(24)11-23-18(26)20(22-19(23)27)9-7-6-8-12(20)3/h10,12H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)/t12-,20+/m0/s1
InChIKeyIEBGIFAAHPMGSI-FKIZINRSSA-N
XLogP2.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
ethyl 4-cyclopropyl-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 42898080
ethyl 4-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 2585146
ethyl 5-ethyl-2-[[2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 7180652
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2585053
ethyl 2-[[2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 55546453
N-methoxy-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46565248
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
ethyl 1-[[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 51956757
methyl 2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 8894844
ethyl 2-[[5-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 43008060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate (CID 7265172) is ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is IEBGIFAAHPMGSI-FKIZINRSSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-13-10-14(17(25)28-5-2)16(29-13)21-15(24)11-23-18(26)20(22-19(23)27)9-7-6-8-12(20)3/h10,12H,4-9,11H2,1-3H3,(H,21,24)(H,22,27)/t12-,20+/m0/s1.
What are the key properties of ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 7265172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).