N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide

C15H15N3O3S — CID 46677751

IUPACN-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/c2cccs2)c1
InChIInChI=1S/C15H15N3O3S/c1-16-15(20)11-4-2-5-12(8-11)18-14(19)10-21-17-9-13-6-3-7-22-13/h2-9H,10H2,1H3,(H,16,20)(H,18,19)/b17-9+
InChIKeyZHQYUSWELRZVHD-RQZCQDPDSA-N
MW317.37 g/mol
LogP2.10
Rot. Bonds6

About N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide

N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide (PubChem CID 46677751) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
PubChem CID46677751
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CO/N=C/c2cccs2)c1
InChIInChI=1S/C15H15N3O3S/c1-16-15(20)11-4-2-5-12(8-11)18-14(19)10-21-17-9-13-6-3-7-22-13/h2-9H,10H2,1H3,(H,16,20)(H,18,19)/b17-9+
InChIKeyZHQYUSWELRZVHD-RQZCQDPDSA-N
XLogP2.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[2-[(E)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetyl]amino]benzamide
CID 24581644
N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 75265020
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007692
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9007695
N-(4-phenylmethoxyphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 42966966
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-thiophen-2-ylmethylideneamino]oxyacetamide
CID 46697978
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
3-[[2-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxyacetyl]amino]-N-methylbenzamide
CID 24581600
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
N-methyl-3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 8866090
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide (CID 46677751) is N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CO/N=C/c2cccs2)c1.
What is the InChIKey of N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide?
The InChIKey is ZHQYUSWELRZVHD-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-16-15(20)11-4-2-5-12(8-11)18-14(19)10-21-17-9-13-6-3-7-22-13/h2-9H,10H2,1H3,(H,16,20)(H,18,19)/b17-9+.
What are the key properties of N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide?
N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide has a molecular weight of 317.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-[(E)-thiophen-2-ylmethylideneamino]oxyacetyl]amino]benzamide is sourced from PubChem (CID 46677751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).