ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate

C20H27N3O5S — CID 42944857

IUPACethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(C2=O)C(C)CCCC3C)cc1C
InChIInChI=1S/C20H27N3O5S/c1-5-28-17(25)16-11(2)9-15(29-16)21-14(24)10-23-18(26)20(22-19(23)27)12(3)7-6-8-13(20)4/h9,12-13H,5-8,10H2,1-4H3,(H,21,24)(H,22,27)
InChIKeyZAYWKPRGWZOYAL-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.92
Rot. Bonds5

About ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 42944857) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID42944857
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Nameethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(C2=O)C(C)CCCC3C)cc1C
InChIInChI=1S/C20H27N3O5S/c1-5-28-17(25)16-11(2)9-15(29-16)21-14(24)10-23-18(26)20(22-19(23)27)12(3)7-6-8-13(20)4/h9,12-13H,5-8,10H2,1-4H3,(H,21,24)(H,22,27)
InChIKeyZAYWKPRGWZOYAL-UHFFFAOYSA-N
XLogP2.92
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 30795038
ethyl 5-[[2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 24565862
methyl 1-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55663761
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
ethyl 3-methyl-5-[[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 41380519
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-[[2-[4-(2-methylpropanoylamino)piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55739127
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 3-methyl-5-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 51318878
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate (CID 42944857) is ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(C2=O)C(C)CCCC3C)cc1C.
What is the InChIKey of ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is ZAYWKPRGWZOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-5-28-17(25)16-11(2)9-15(29-16)21-14(24)10-23-18(26)20(22-19(23)27)12(3)7-6-8-13(20)4/h9,12-13H,5-8,10H2,1-4H3,(H,21,24)(H,22,27).
What are the key properties of ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-(6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 42944857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).