N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C17H20N2O4S — CID 90496929

IUPACN'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(O)c1sccc1C
InChIInChI=1S/C17H20N2O4S/c1-3-23-14-7-5-4-6-12(14)19-17(22)16(21)18-10-13(20)15-11(2)8-9-24-15/h4-9,13,20H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVWHHZXAQJOZIDW-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.24
Rot. Bonds6

About N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90496929) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90496929
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NCC(O)c1sccc1C
InChIInChI=1S/C17H20N2O4S/c1-3-23-14-7-5-4-6-12(14)19-17(22)16(21)18-10-13(20)15-11(2)8-9-24-15/h4-9,13,20H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVWHHZXAQJOZIDW-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.24
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'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926
N'-(2-ethoxyphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)oxamide
CID 90496673
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 7192247
N'-(2-ethoxyphenyl)-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
CID 95342156
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-(2-ethoxyphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 44997898
N-(6-aminohexyl)-N'-(2-ethoxyphenyl)oxamide
CID 19766776

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 90496929) is N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is CCOc1ccccc1NC(=O)C(=O)NCC(O)c1sccc1C.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is VWHHZXAQJOZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-23-14-7-5-4-6-12(14)19-17(22)16(21)18-10-13(20)15-11(2)8-9-24-15/h4-9,13,20H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 348.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).