[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate

C21H20N2O6S — CID 42204645

IUPAC[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1occc1COc1ccccc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H20N2O6S/c24-18(23-21(26)22-10-8-17-7-4-12-30-17)14-29-20(25)19-15(9-11-27-19)13-28-16-5-2-1-3-6-16/h1-7,9,11-12H,8,10,13-14H2,(H2,22,23,24,26)
InChIKeyDHHWDIOMRSHPTR-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.15
Rot. Bonds9

About [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate

[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 42204645) has the molecular formula C21H20N2O6S and a molecular weight of 428.47 g/mol. Its IUPAC name is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID42204645
Molecular FormulaC21H20N2O6S
Molecular Weight428.47 g/mol
Exact Mass428.10
IUPAC Name[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1occc1COc1ccccc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C21H20N2O6S/c24-18(23-21(26)22-10-8-17-7-4-12-30-17)14-29-20(25)19-15(9-11-27-19)13-28-16-5-2-1-3-6-16/h1-7,9,11-12H,8,10,13-14H2,(H2,22,23,24,26)
InChIKeyDHHWDIOMRSHPTR-UHFFFAOYSA-N
XLogP3.15
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-phenylmethoxybenzoate
CID 8952047
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
CID 42450370
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 55384609
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(2-methylpropoxy)benzoate
CID 33340577
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate
CID 55384222
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenoxyethoxy)benzoate
CID 28567581
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 55384969
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 27717102
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate (CID 42204645) is [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate is O=C(COC(=O)c1occc1COc1ccccc1)NC(=O)NCCc1cccs1.
What is the InChIKey of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is DHHWDIOMRSHPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6S/c24-18(23-21(26)22-10-8-17-7-4-12-30-17)14-29-20(25)19-15(9-11-27-19)13-28-16-5-2-1-3-6-16/h1-7,9,11-12H,8,10,13-14H2,(H2,22,23,24,26).
What are the key properties of [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate?
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 428.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 42204645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).