N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide

C13H11ClN2O2S — CID 5407788

IUPACN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(14)19-11)15-16-13(18)9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyWHLLVNFEOCTUEW-OVCLIPMQSA-N
MW294.76 g/mol
LogP3.26
Rot. Bonds3

About N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide

N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide (PubChem CID 5407788) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
PubChem CID5407788
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
SMILESC/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(14)19-11)15-16-13(18)9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H,16,18)/b15-8+
InChIKeyWHLLVNFEOCTUEW-OVCLIPMQSA-N
XLogP3.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-phenylbenzamide
CID 4284947
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5253057
[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]urea
CID 5354251
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5404510
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 1028269
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]benzamide
CID 6341793
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
4-bromo-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 4232826
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[1-(5-chlorothiophen-2-yl)ethylideneamino]pentanamide
CID 4604859
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide (CID 5407788) is N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide is C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The InChIKey is WHLLVNFEOCTUEW-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-8(11-6-7-12(14)19-11)15-16-13(18)9-2-4-10(17)5-3-9/h2-7,17H,1H3,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide has a molecular weight of 294.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 5407788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).