2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

C23H18ClN3O2S — CID 9499544

IUPAC2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/N=C\C=C\c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2S/c24-20-13-5-4-12-19(20)22(28)26-21(16-18-11-7-15-30-18)23(29)27-25-14-6-10-17-8-2-1-3-9-17/h1-16H,(H,26,28)(H,27,29)/b10-6+,21-16-,25-14-
InChIKeyHDEGMMMKAFSUJO-XJKSEYJSSA-N
MW435.94 g/mol
LogP4.99
Rot. Bonds7

About 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide

2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (PubChem CID 9499544) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
PubChem CID9499544
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/N=C\C=C\c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl
InChIInChI=1S/C23H18ClN3O2S/c24-20-13-5-4-12-19(20)22(28)26-21(16-18-11-7-15-30-18)23(29)27-25-14-6-10-17-8-2-1-3-9-17/h1-16H,(H,26,28)(H,27,29)/b10-6+,21-16-,25-14-
InChIKeyHDEGMMMKAFSUJO-XJKSEYJSSA-N
XLogP4.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide (CID 9499544) is 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is O=C(N/N=C\C=C\c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
The InChIKey is HDEGMMMKAFSUJO-XJKSEYJSSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c24-20-13-5-4-12-19(20)22(28)26-21(16-18-11-7-15-30-18)23(29)27-25-14-6-10-17-8-2-1-3-9-17/h1-16H,(H,26,28)(H,27,29)/b10-6+,21-16-,25-14-.
What are the key properties of 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide?
2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide has a molecular weight of 435.94 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-3-oxo-3-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]-1-thiophen-2-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 9499544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).