N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide

C14H14N2OS — CID 6879499

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-5-12(8-11)10-15-16-14(17)9-13-6-3-7-18-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10+
InChIKeyKGZUGLOSXHQBLV-XNTDXEJSSA-N
MW258.35 g/mol
LogP2.75
Rot. Bonds4

About N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 6879499) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
PubChem CID6879499
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H14N2OS/c1-11-4-2-5-12(8-11)10-15-16-14(17)9-13-6-3-7-18-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10+
InChIKeyKGZUGLOSXHQBLV-XNTDXEJSSA-N
XLogP2.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[4-(methylsulfanyl)benzylidene]-2-thiophenecarbohydrazide
CID 6878439
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880299
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880300
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-2-phenylacetohydrazide
CID 9668509
3-methyl-N'-[4-(methylsulfanyl)benzylidene]-2-thiophenecarbohydrazide
CID 6874661
N'-(2-Methyl-3-phenyl-2-propenylidene)-2-(2-thienyl)acetohydrazide
CID 6893910
(E)-N'-((Z)-2-chloro-3-phenylallylidene)-2-(thiophen-2-yl)acetohydrazide
CID 6862490
2-[(2-Methylbenzyl)thio]-N'-(2-thienylmethylene)acetohydrazide
CID 8145047
N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
CID 6878559
Benzoic acid, 2-(2-thienylmethylene)hydrazide
CID 204470
Benzene acid, (2-thienylmethylene)hydrazide
CID 6895148
2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5334789

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide (CID 6879499) is N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide is Cc1cccc(/C=N/NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is KGZUGLOSXHQBLV-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-11-4-2-5-12(8-11)10-15-16-14(17)9-13-6-3-7-18-13/h2-8,10H,9H2,1H3,(H,16,17)/b15-10+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 258.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6879499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).