N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

C17H20N2O4S — CID 121132291

IUPACN'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-23-14-5-3-13(4-6-14)19-17(22)16(21)18-9-7-15(20)12-8-10-24-11-12/h3-6,8,10-11,15,20H,2,7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyARAODZWUMATPGK-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.33
Rot. Bonds7

About N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (PubChem CID 121132291) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
PubChem CID121132291
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-2-23-14-5-3-13(4-6-14)19-17(22)16(21)18-9-7-15(20)12-8-10-24-11-12/h3-6,8,10-11,15,20H,2,7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyARAODZWUMATPGK-UHFFFAOYSA-N
XLogP2.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
1-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(2-phenoxyethyl)urea
CID 99981776
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (CID 121132291) is N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The InChIKey is ARAODZWUMATPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-23-14-5-3-13(4-6-14)19-17(22)16(21)18-9-7-15(20)12-8-10-24-11-12/h3-6,8,10-11,15,20H,2,7,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide has a molecular weight of 348.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is sourced from PubChem (CID 121132291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).