ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

C19H22N2O5S — CID 134060480

IUPACethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1C
InChIInChI=1S/C19H22N2O5S/c1-3-26-19(24)16-12(2)10-15(27-16)20-17(22)13-4-7-21(8-5-13)18(23)14-6-9-25-11-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,22)
InChIKeyZZYHIGNZQSJXSO-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.32
Rot. Bonds5

About ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 134060480) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID134060480
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1C
InChIInChI=1S/C19H22N2O5S/c1-3-26-19(24)16-12(2)10-15(27-16)20-17(22)13-4-7-21(8-5-13)18(23)14-6-9-25-11-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,22)
InChIKeyZZYHIGNZQSJXSO-UHFFFAOYSA-N
XLogP3.32
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51933699
[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51933700
ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 60921466
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 35676238
ethyl 3-methyl-5-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 16934324
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043
ethyl 5-(cyclopropanecarbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate
CID 2373848
ethyl 1-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 86835731
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
ethyl 2-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 43054937

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (CID 134060480) is ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1C.
What is the InChIKey of ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is ZZYHIGNZQSJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-26-19(24)16-12(2)10-15(27-16)20-17(22)13-4-7-21(8-5-13)18(23)14-6-9-25-11-14/h6,9-11,13H,3-5,7-8H2,1-2H3,(H,20,22).
What are the key properties of ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 134060480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).