N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide

C17H20N2O3S — CID 90584123

IUPACN'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-11-4-5-14(12(2)8-11)19-17(21)16(20)18-9-15(22-3)13-6-7-23-10-13/h4-8,10,15H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHOCDSLXTULXBMF-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.81
Rot. Bonds5

About N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide

N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide (PubChem CID 90584123) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
PubChem CID90584123
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-11-4-5-14(12(2)8-11)19-17(21)16(20)18-9-15(22-3)13-6-7-23-10-13/h4-8,10,15H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyHOCDSLXTULXBMF-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 90584146
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N'-(2,5-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932322
N'-(2,5-dimethylphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932512

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide (CID 90584123) is N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide is COC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1ccsc1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide?
The InChIKey is HOCDSLXTULXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-4-5-14(12(2)8-11)19-17(21)16(20)18-9-15(22-3)13-6-7-23-10-13/h4-8,10,15H,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide?
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide has a molecular weight of 332.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 90584123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).