N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

C16H18N2O3S — CID 90500127

IUPACN'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-11-5-7-12(8-6-11)18-16(21)15(20)17-10-13(19)14-4-3-9-22-14/h3-9,13,19H,2,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyOUGUOVSKKAWQRM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.10
Rot. Bonds5

About N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide

N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (PubChem CID 90500127) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
PubChem CID90500127
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-11-5-7-12(8-6-11)18-16(21)15(20)17-10-13(19)14-4-3-9-22-14/h3-9,13,19H,2,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyOUGUOVSKKAWQRM-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)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

N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500125
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide (CID 90500127) is N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC(O)c2cccs2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
The InChIKey is OUGUOVSKKAWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-11-5-7-12(8-6-11)18-16(21)15(20)17-10-13(19)14-4-3-9-22-14/h3-9,13,19H,2,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide?
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide has a molecular weight of 318.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide is sourced from PubChem (CID 90500127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).