N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide

C18H19FN2O2S — CID 89214113

IUPACN-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide
SMILESC=C(C/C(=N/NC(=O)c1ccccc1O)C(C)(C)F)c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-12(15-9-6-10-24-15)11-16(18(2,3)19)20-21-17(23)13-7-4-5-8-14(13)22/h4-10,22H,1,11H2,2-3H3,(H,21,23)/b20-16-
InChIKeyYPHKVAWFJYOWFN-SILNSSARSA-N
MW346.43 g/mol
LogP4.39
Rot. Bonds6

About N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide

N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide (PubChem CID 89214113) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide
PubChem CID89214113
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide
SMILESC=C(C/C(=N/NC(=O)c1ccccc1O)C(C)(C)F)c1cccs1
InChIInChI=1S/C18H19FN2O2S/c1-12(15-9-6-10-24-15)11-16(18(2,3)19)20-21-17(23)13-7-4-5-8-14(13)22/h4-10,22H,1,11H2,2-3H3,(H,21,23)/b20-16-
InChIKeyYPHKVAWFJYOWFN-SILNSSARSA-N
XLogP4.39
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.39
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

2-chloro-N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]benzamide
CID 5161810
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
3-chloro-N-[(Z)-(4,4-difluoro-1-oxo-1-thiophen-2-ylpentan-3-ylidene)amino]-1-benzothiophene-2-carboxamide
CID 172959957
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-methyl-N-[(Z)-(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]propanamide
CID 6116976
tert-butyl N-[(1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbutan-2-ylidene)amino]carbamate
CID 3131610
2-hydroxy-N-[(E)-[1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)-4-oxobutan-2-ylidene]amino]benzamide
CID 25167399
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-methyl-4-thiophen-2-ylpenta-1,4-dien-2-amine
CID 118474921
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide (CID 89214113) is N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide is C=C(C/C(=N/NC(=O)c1ccccc1O)C(C)(C)F)c1cccs1.
What is the InChIKey of N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide?
The InChIKey is YPHKVAWFJYOWFN-SILNSSARSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-12(15-9-6-10-24-15)11-16(18(2,3)19)20-21-17(23)13-7-4-5-8-14(13)22/h4-10,22H,1,11H2,2-3H3,(H,21,23)/b20-16-.
What are the key properties of N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide?
N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-fluoro-2-methyl-5-thiophen-2-ylhex-5-en-3-ylidene)amino]-2-hydroxybenzamide is sourced from PubChem (CID 89214113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).