N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

C15H15N3O2S — CID 3859686

IUPACN-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NN=Cc2cccs2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-11-5-7-12(8-6-11)17-14(19)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyYWLQPNDOBNOBNS-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.40
Rot. Bonds4

About N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (PubChem CID 3859686) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
PubChem CID3859686
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NN=Cc2cccs2)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-11-5-7-12(8-6-11)17-14(19)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyYWLQPNDOBNOBNS-UHFFFAOYSA-N
XLogP2.40
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 4050044
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide
CID 56695207
N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3105093
N-(4-ethylphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988796
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 26871383
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (CID 3859686) is N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is CCc1ccc(NC(=O)C(=O)NN=Cc2cccs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The InChIKey is YWLQPNDOBNOBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-11-5-7-12(8-6-11)17-14(19)15(20)18-16-10-13-4-3-9-21-13/h3-10H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide has a molecular weight of 301.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is sourced from PubChem (CID 3859686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).