[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

C19H22N2O5S — CID 18149772

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H22N2O5S/c1-2-13-6-3-4-10-21(13)17(22)12-26-19(24)15-8-9-16(27-15)20-18(23)14-7-5-11-25-14/h5,7-9,11,13H,2-4,6,10,12H2,1H3,(H,20,23)
InChIKeyHDVOPEOCDGEGNP-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.54
Rot. Bonds6

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 18149772) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
PubChem CID18149772
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1
InChIInChI=1S/C19H22N2O5S/c1-2-13-6-3-4-10-21(13)17(22)12-26-19(24)15-8-9-16(27-15)20-18(23)14-7-5-11-25-14/h5,7-9,11,13H,2-4,6,10,12H2,1H3,(H,20,23)
InChIKeyHDVOPEOCDGEGNP-UHFFFAOYSA-N
XLogP3.54
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448680
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801
[2-(3-methylbutylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149797
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 78793816
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 55511428
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31219335
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
2-(4-methylphenoxy)ethyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 46512241
[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 7203935
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 31218911
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 4148985
(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18226937

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate (CID 18149772) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is CCC1CCCCN1C(=O)COC(=O)c1ccc(NC(=O)c2ccco2)s1.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is HDVOPEOCDGEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-13-6-3-4-10-21(13)17(22)12-26-19(24)15-8-9-16(27-15)20-18(23)14-7-5-11-25-14/h5,7-9,11,13H,2-4,6,10,12H2,1H3,(H,20,23).
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 18149772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).