N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

C17H20N2O4S — CID 90496926

IUPACN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-13-6-4-12(5-7-13)19-17(22)16(21)18-10-14(20)15-11(2)8-9-24-15/h4-9,14,20H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXSGOUQWLSHTXJT-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.24
Rot. Bonds6

About N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide

N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 90496926) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
PubChem CID90496926
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-23-13-6-4-12(5-7-13)19-17(22)16(21)18-10-14(20)15-11(2)8-9-24-15/h4-9,14,20H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXSGOUQWLSHTXJT-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'}

Analyze N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
N'-(2-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496929
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496902
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N'-(2,4-dimethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496945
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 95347120
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598587
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide (CID 90496926) is N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCC(O)c2sccc2C)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is XSGOUQWLSHTXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-23-13-6-4-12(5-7-13)19-17(22)16(21)18-10-14(20)15-11(2)8-9-24-15/h4-9,14,20H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide?
N'-(4-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'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).