(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide

C14H14N2O3S — CID 134385857

IUPAC(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide
SMILESCc1cscc1/C(CC(N)=O)=N/Oc1cccc(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9-7-20-8-12(9)13(6-14(15)18)16-19-11-4-2-3-10(17)5-11/h2-5,7-8,17H,6H2,1H3,(H2,15,18)/b16-13+
InChIKeyDVJSICFJQRYEOH-DTQAZKPQSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds5

About (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide

(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide (PubChem CID 134385857) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide.

Molecular Properties

Compound Name(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide
PubChem CID134385857
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide
SMILESCc1cscc1/C(CC(N)=O)=N/Oc1cccc(O)c1
InChIInChI=1S/C14H14N2O3S/c1-9-7-20-8-12(9)13(6-14(15)18)16-19-11-4-2-3-10(17)5-11/h2-5,7-8,17H,6H2,1H3,(H2,15,18)/b16-13+
InChIKeyDVJSICFJQRYEOH-DTQAZKPQSA-N
XLogP2.42
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide?
The IUPAC name of (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide (CID 134385857) is (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide.
What is the SMILES notation for (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide?
The canonical SMILES for (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide is Cc1cscc1/C(CC(N)=O)=N/Oc1cccc(O)c1.
What is the InChIKey of (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide?
The InChIKey is DVJSICFJQRYEOH-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-7-20-8-12(9)13(6-14(15)18)16-19-11-4-2-3-10(17)5-11/h2-5,7-8,17H,6H2,1H3,(H2,15,18)/b16-13+.
What are the key properties of (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide?
(3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide has a molecular weight of 290.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3-hydroxyphenoxy)imino-3-(4-methylthiophen-3-yl)propanamide is sourced from PubChem (CID 134385857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).