2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

C13H12N2O2S — CID 26871383

IUPAC2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C\c1cccs1
InChIInChI=1S/C13H12N2O2S/c16-11-5-3-10(4-6-11)8-13(17)15-14-9-12-2-1-7-18-12/h1-7,9,16H,8H2,(H,15,17)/b14-9-
InChIKeyWUJBAYATMBKWQA-ZROIWOOFSA-N
MW260.32 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 26871383) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID26871383
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C\c1cccs1
InChIInChI=1S/C13H12N2O2S/c16-11-5-3-10(4-6-11)8-13(17)15-14-9-12-2-1-7-18-12/h1-7,9,16H,8H2,(H,15,17)/b14-9-
InChIKeyWUJBAYATMBKWQA-ZROIWOOFSA-N
XLogP2.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]propanamide
CID 5414238
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
N-(thiophen-2-ylmethylideneamino)octadecanamide
CID 75087356
N-(thiophen-2-ylmethylideneamino)undecanamide
CID 2164157
N-[(E)-thiophen-2-ylmethylideneamino]octanamide
CID 6894116
2-(4-ethylphenoxy)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5416726
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)acetamide
CID 681491
2-(2-chloro-6-fluorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 25237585
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789428

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide (CID 26871383) is 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is O=C(Cc1ccc(O)cc1)N/N=C\c1cccs1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is WUJBAYATMBKWQA-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-11-5-3-10(4-6-11)8-13(17)15-14-9-12-2-1-7-18-12/h1-7,9,16H,8H2,(H,15,17)/b14-9-.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide?
2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 260.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 26871383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).