2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C13H11ClN2OS — CID 5334789

IUPAC2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1
InChIInChI=1S/C13H11ClN2OS/c14-11-5-3-10(4-6-11)8-13(17)16-15-9-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17)/b15-9+
InChIKeyYSFDAOSZXIOSTL-OQLLNIDSSA-N
MW278.76 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 5334789) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID5334789
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1
InChIInChI=1S/C13H11ClN2OS/c14-11-5-3-10(4-6-11)8-13(17)16-15-9-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17)/b15-9+
InChIKeyYSFDAOSZXIOSTL-OQLLNIDSSA-N
XLogP3.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.09
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-[(E)-(3-methylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6879499
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-2-phenylacetohydrazide
CID 9668509
2-(2-chloro-6-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
CID 25237585
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
N-[(E)-benzylideneamino]-2-thiophen-2-ylacetamide
CID 6878559
4-chloro-N-[1-(2-thienyl)ethylideneamino]benzamide
CID 5829177
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-[(4-chlorobenzyl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide
CID 6876501
(1S,2S)-2-phenyl-N'-[(1E)-thien-2-ylmethylene]cyclopropanecarbohydrazide
CID 9599677
2-(4-chlorophenyl)-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9686944
2-(4-chlorophenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 5334945

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 5334789) is 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is YSFDAOSZXIOSTL-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c14-11-5-3-10(4-6-11)8-13(17)16-15-9-12-2-1-7-18-12/h1-7,9H,8H2,(H,16,17)/b15-9+.
What are the key properties of 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 278.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5334789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).