N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

C10H13N3O3S — CID 3105093

IUPACN-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1cccs1
InChIInChI=1S/C10H13N3O3S/c1-16-5-4-11-9(14)10(15)13-12-7-8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)(H,13,15)
InChIKeyUCOUOGFUJUOQOY-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.04
Rot. Bonds5

About N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide

N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (PubChem CID 3105093) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
PubChem CID3105093
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
SMILESCOCCNC(=O)C(=O)NN=Cc1cccs1
InChIInChI=1S/C10H13N3O3S/c1-16-5-4-11-9(14)10(15)13-12-7-8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)(H,13,15)
InChIKeyUCOUOGFUJUOQOY-UHFFFAOYSA-N
XLogP-0.04
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
4-methoxy-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 7976856
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
2-propoxy-N-(thiophen-2-ylmethylideneamino)benzamide
CID 4931437
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The IUPAC name of N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide (CID 3105093) is N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The canonical SMILES for N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is COCCNC(=O)C(=O)NN=Cc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
The InChIKey is UCOUOGFUJUOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-16-5-4-11-9(14)10(15)13-12-7-8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)(H,13,15).
What are the key properties of N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide?
N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide has a molecular weight of 255.30 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide is sourced from PubChem (CID 3105093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).