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

C15H16N2O2S — CID 5253057

IUPACN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
SMILESCCc1ccc(C(C)=NNC(=O)c2ccc(O)cc2)s1
InChIInChI=1S/C15H16N2O2S/c1-3-13-8-9-14(20-13)10(2)16-17-15(19)11-4-6-12(18)7-5-11/h4-9,18H,3H2,1-2H3,(H,17,19)
InChIKeyHVKDJSPHQWMUOO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.17
Rot. Bonds4

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

N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide (PubChem CID 5253057) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
PubChem CID5253057
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
SMILESCCc1ccc(C(C)=NNC(=O)c2ccc(O)cc2)s1
InChIInChI=1S/C15H16N2O2S/c1-3-13-8-9-14(20-13)10(2)16-17-15(19)11-4-6-12(18)7-5-11/h4-9,18H,3H2,1-2H3,(H,17,19)
InChIKeyHVKDJSPHQWMUOO-UHFFFAOYSA-N
XLogP3.17
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.17
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-ethylthiophen-2-yl)ethylideneamino]-3,4-dimethylbenzamide
CID 4681796
N-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-4-hydroxybenzamide
CID 5407788
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3377350
N,N'-bis[1-(5-ethylthiophen-2-yl)ethylideneamino]octanediamide
CID 4155317
ethyl N-[1-(5-ethylthiophen-2-yl)ethylideneamino]carbamate
CID 3848888
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-ethylthiophen-2-yl)ethylideneamino]-2-(4-nitrophenyl)acetamide
CID 4196331
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
4-(dimethylamino)-N-[(E)-1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 6152424

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide (CID 5253057) is N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide is CCc1ccc(C(C)=NNC(=O)c2ccc(O)cc2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
The InChIKey is HVKDJSPHQWMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-3-13-8-9-14(20-13)10(2)16-17-15(19)11-4-6-12(18)7-5-11/h4-9,18H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide?
N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide has a molecular weight of 288.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 5253057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).