N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide

C15H14ClN3O3S — CID 19658584

IUPACN'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(12-7-8-13(16)23-12)18-19-15(21)14(20)17-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyULKUMDJYPMQOPE-GIJQJNRQSA-N
MW351.82 g/mol
LogP2.89
Rot. Bonds4

About N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 19658584) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID19658584
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC NameN'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-9(12-7-8-13(16)23-12)18-19-15(21)14(20)17-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyULKUMDJYPMQOPE-GIJQJNRQSA-N
XLogP2.89
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-phenoxyacetamide
CID 6176137
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
[4-[(E)-C-methyl-N-[[2-oxo-2-[4-(trifluoromethyl)anilino]acetyl]amino]carbonimidoyl]phenyl] 4-methoxybenzoate
CID 19658629
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide (CID 19658584) is N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccc(Cl)s2)cc1.
What is the InChIKey of N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is ULKUMDJYPMQOPE-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-9(12-7-8-13(16)23-12)18-19-15(21)14(20)17-10-3-5-11(22-2)6-4-10/h3-8H,1-2H3,(H,17,20)(H,19,21)/b18-9+.
What are the key properties of N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 351.82 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 19658584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).