N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide

C13H14N2O2S — CID 43548608

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESNc1ccc(O)c(CNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C13H14N2O2S/c14-11-1-2-12(16)10(6-11)7-15-13(17)5-9-3-4-18-8-9/h1-4,6,8,16H,5,7,14H2,(H,15,17)
InChIKeyRYNUFKOSVZZRLD-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.89
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide

N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 43548608) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
PubChem CID43548608
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESNc1ccc(O)c(CNC(=O)Cc2ccsc2)c1
InChIInChI=1S/C13H14N2O2S/c14-11-1-2-12(16)10(6-11)7-15-13(17)5-9-3-4-18-8-9/h1-4,6,8,16H,5,7,14H2,(H,15,17)
InChIKeyRYNUFKOSVZZRLD-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[[3-(hydroxymethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 63311259
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide (CID 43548608) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide is Nc1ccc(O)c(CNC(=O)Cc2ccsc2)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is RYNUFKOSVZZRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-11-1-2-12(16)10(6-11)7-15-13(17)5-9-3-4-18-8-9/h1-4,6,8,16H,5,7,14H2,(H,15,17).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 262.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 43548608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).