N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide

C20H20N2O5S — CID 121133625

IUPACN'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-26-14-7-5-13(6-8-14)22-20(25)19(24)21-12-15-9-10-17(28-15)18(23)16-4-3-11-27-16/h3-11,18,23H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyXZNZQPSQCYPUBO-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.08
Rot. Bonds7

About N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide

N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide (PubChem CID 121133625) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
PubChem CID121133625
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1
InChIInChI=1S/C20H20N2O5S/c1-2-26-14-7-5-13(6-8-14)22-20(25)19(24)21-12-15-9-10-17(28-15)18(23)16-4-3-11-27-16/h3-11,18,23H,2,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyXZNZQPSQCYPUBO-UHFFFAOYSA-N
XLogP3.08
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
2-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133418
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406
N'-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584904
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
CID 121133668
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598587
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide (CID 121133625) is N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCc2ccc(C(O)c3ccco3)s2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide?
The InChIKey is XZNZQPSQCYPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-2-26-14-7-5-13(6-8-14)22-20(25)19(24)21-12-15-9-10-17(28-15)18(23)16-4-3-11-27-16/h3-11,18,23H,2,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide?
N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide has a molecular weight of 400.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide is sourced from PubChem (CID 121133625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).