N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide

C14H12ClN3O2S — CID 19660564

IUPACN-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H12ClN3O2S/c1-9(12-7-4-8-21-12)17-18-14(20)13(19)16-11-6-3-2-5-10(11)15/h2-8H,1H3,(H,16,19)(H,18,20)/b17-9+
InChIKeyZGYZIQUDRQGNQL-RQZCQDPDSA-N
MW321.79 g/mol
LogP2.88
Rot. Bonds3

About N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide

N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide (PubChem CID 19660564) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
PubChem CID19660564
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1cccs1
InChIInChI=1S/C14H12ClN3O2S/c1-9(12-7-4-8-21-12)17-18-14(20)13(19)16-11-6-3-2-5-10(11)15/h2-8H,1H3,(H,16,19)(H,18,20)/b17-9+
InChIKeyZGYZIQUDRQGNQL-RQZCQDPDSA-N
XLogP2.88
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.88
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

2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
[4-[(E)-N-[[2-(2-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 19660593
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 19659603
N-cyclopropyl-N'-[(Z)-1-thiophen-2-ylethylideneamino]oxamide
CID 9352223
N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846586
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5090031
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
N-(3-chloro-2-methylphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 94288943

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide (CID 19660564) is N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccccc1Cl)c1cccs1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide?
The InChIKey is ZGYZIQUDRQGNQL-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-9(12-7-4-8-21-12)17-18-14(20)13(19)16-11-6-3-2-5-10(11)15/h2-8H,1H3,(H,16,19)(H,18,20)/b17-9+.
What are the key properties of N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide?
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide has a molecular weight of 321.79 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide is sourced from PubChem (CID 19660564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).