ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate

C18H26N2O4S — CID 58693852

IUPACethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\N(CCC1CC1)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C18H26N2O4S/c1-5-23-16(21)15(14-7-6-12-25-14)19-20(11-10-13-8-9-13)17(22)24-18(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b19-15-
InChIKeyIXADMIGITGSMNL-CYVLTUHYSA-N
MW366.48 g/mol
LogP4.05
Rot. Bonds7

About ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate

ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate (PubChem CID 58693852) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate
PubChem CID58693852
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Nameethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate
SMILESCCOC(=O)/C(=N\N(CCC1CC1)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C18H26N2O4S/c1-5-23-16(21)15(14-7-6-12-25-14)19-20(11-10-13-8-9-13)17(22)24-18(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b19-15-
InChIKeyIXADMIGITGSMNL-CYVLTUHYSA-N
XLogP4.05
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate with MolForge

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Related Compounds

ethyl (2E)-2-[[hydroxy-[(2-methylpropan-2-yl)oxy]amino]hydrazinylidene]-2-thiophen-2-ylacetate
CID 143717768
ethyl 2-(3-chlorophenyl)imino-2-thiophen-2-ylacetate
CID 13255860
ethyl 2-(2-methoxyphenyl)imino-2-thiophen-2-ylacetate
CID 13255863
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(4-oxo-4-thiophen-2-ylbutyl)carbamate
CID 132578613
tert-butyl N-[2-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]-N-ethylcarbamate
CID 66704619
tert-butyl 2-thiophen-2-ylpent-2-en-4-ynoate
CID 175217285
lithium ethyl 3-methyl-2,4-dioxo-4-thiophen-2-ylbutanoate
CID 24805542
methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
CID 22628599
tert-butyl N-[(Z)-1-thiophen-2-ylpropylideneamino]carbamate
CID 8972522
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate?
The IUPAC name of ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate (CID 58693852) is ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate is CCOC(=O)/C(=N\N(CCC1CC1)C(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate?
The InChIKey is IXADMIGITGSMNL-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-5-23-16(21)15(14-7-6-12-25-14)19-20(11-10-13-8-9-13)17(22)24-18(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3/b19-15-.
What are the key properties of ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate?
ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate has a molecular weight of 366.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[2-cyclopropylethyl-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinylidene]-2-thiophen-2-ylacetate is sourced from PubChem (CID 58693852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).