N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide

C15H16N2O2S — CID 135603281

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccs1)c1ccc(O)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-14(11-5-7-12(18)8-6-11)16-17-15(19)10-13-4-3-9-20-13/h3-9,18H,2,10H2,1H3,(H,17,19)/b16-14+
InChIKeyNZEYQODRPRGWEP-JQIJEIRASA-N
MW288.37 g/mol
LogP2.93
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 135603281) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
PubChem CID135603281
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
SMILESCC/C(=N\NC(=O)Cc1cccs1)c1ccc(O)cc1
InChIInChI=1S/C15H16N2O2S/c1-2-14(11-5-7-12(18)8-6-11)16-17-15(19)10-13-4-3-9-20-13/h3-9,18H,2,10H2,1H3,(H,17,19)/b16-14+
InChIKeyNZEYQODRPRGWEP-JQIJEIRASA-N
XLogP2.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-1-[4-(2-amino-2-oxoethoxy)phenyl]propylideneamino]-2-thiophen-2-ylacetamide
CID 6340239
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N'-[1-(4-hydroxyphenyl)ethenyl]-2-thiophen-2-ylacetohydrazide
CID 4623836
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 5425293
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide (CID 135603281) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide is CC/C(=N\NC(=O)Cc1cccs1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is NZEYQODRPRGWEP-JQIJEIRASA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-14(11-5-7-12(18)8-6-11)16-17-15(19)10-13-4-3-9-20-13/h3-9,18H,2,10H2,1H3,(H,17,19)/b16-14+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 288.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 135603281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).