N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C19H16N2O3S — CID 2177140

IUPACN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+
InChIKeyGEBDCQHBDRKDRE-SFQUDFHCSA-N
MW352.42 g/mol
LogP3.43
Rot. Bonds6

About N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 2177140) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID2177140
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+
InChIKeyGEBDCQHBDRKDRE-SFQUDFHCSA-N
XLogP3.43
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide 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 N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 2177140) is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is GEBDCQHBDRKDRE-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(14-6-2-1-3-7-14)21-17(12-16-9-5-11-25-16)19(23)20-13-15-8-4-10-24-15/h1-12H,13H2,(H,20,23)(H,21,22)/b17-12+.
What are the key properties of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2177140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).