(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

C17H18ClN3O2S2 — CID 145156878

IUPAC(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Sc2ccc(Cl)s2)CC1)NO
InChIInChI=1S/C17H18ClN3O2S2/c18-15-6-8-17(24-15)25-21-11-9-20(10-12-21)14-4-2-1-3-13(14)5-7-16(22)19-23/h1-8,23H,9-12H2,(H,19,22)/b7-5+
InChIKeyLFFYMZVZGLXULC-FNORWQNLSA-N
MW395.94 g/mol
LogP3.75
Rot. Bonds5

About (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 145156878) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID145156878
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC Name(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCN(Sc2ccc(Cl)s2)CC1)NO
InChIInChI=1S/C17H18ClN3O2S2/c18-15-6-8-17(24-15)25-21-11-9-20(10-12-21)14-4-2-1-3-13(14)5-7-16(22)19-23/h1-8,23H,9-12H2,(H,19,22)/b7-5+
InChIKeyLFFYMZVZGLXULC-FNORWQNLSA-N
XLogP3.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide 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

(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
(E)-N-hydroxy-3-[2-[4-[2-(trifluoromethoxy)phenyl]sulfanylpiperazin-1-yl]phenyl]prop-2-enamide
CID 145156888
ethane;(E)-3-[2-[4-[[6-(2-fluoropropan-2-yl)-3-pyridinyl]sulfanyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 145156855
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
(E)-3-[2-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513920
(E)-3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514118
(E)-3-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514028
(E)-3-[2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514032
(E)-N-hydroxy-3-[2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]phenyl]prop-2-enamide
CID 122514430
(E)-3-[2-(5,6-dichloroisoindol-2-yl)phenyl]-N-hydroxyprop-2-enamide
CID 122514325
(E)-3-[2-[4-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514284

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide (CID 145156878) is (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccccc1N1CCN(Sc2ccc(Cl)s2)CC1)NO.
What is the InChIKey of (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is LFFYMZVZGLXULC-FNORWQNLSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c18-15-6-8-17(24-15)25-21-11-9-20(10-12-21)14-4-2-1-3-13(14)5-7-16(22)19-23/h1-8,23H,9-12H2,(H,19,22)/b7-5+.
What are the key properties of (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 395.94 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[4-(5-chlorothiophen-2-yl)sulfanylpiperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 145156878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).