N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide

C19H16FN3O2S — CID 11222430

IUPACN-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CO/N=C/c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FN3O2S/c20-14-7-5-13(6-8-14)11-22-25-12-15-9-10-18(26-15)19(24)23-17-4-2-1-3-16(17)21/h1-11H,12,21H2,(H,23,24)/b22-11+
InChIKeyAUKJXOXFRGSZGD-SSDVNMTOSA-N
MW369.42 g/mol
LogP4.27
Rot. Bonds6

About N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide

N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide (PubChem CID 11222430) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
PubChem CID11222430
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC NameN-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(CO/N=C/c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FN3O2S/c20-14-7-5-13(6-8-14)11-22-25-12-15-9-10-18(26-15)19(24)23-17-4-2-1-3-16(17)21/h1-11H,12,21H2,(H,23,24)/b22-11+
InChIKeyAUKJXOXFRGSZGD-SSDVNMTOSA-N
XLogP4.27
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[[(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide
CID 85417464
5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid
CID 21082358
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 47096591
N-(2-aminophenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 69361738
2-N-(2-aminophenyl)-5-N-(2-methylpropyl)thiophene-2,5-dicarboxamide
CID 10335977
(E)-N-(2-aminophenyl)-3-[4-(2-morpholin-4-ylethoxyiminomethyl)phenyl]prop-2-enamide;hydrochloride
CID 140526726
N-(2-aminophenyl)-5-[[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]methyl]thiophene-2-carboxamide
CID 10341141
N-(2-aminophenyl)-4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
CID 59575560
N-(2-aminophenyl)-5-[(2-methylbutylcarbamoylamino)methyl]thiophene-2-carboxamide
CID 10044082
N-(2-aminophenyl)-4-[(Z)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]benzamide
CID 68769109
N-(2-aminophenyl)-4-methylbenzamide;(E)-3-(4-fluorophenyl)-2-phenylprop-2-enamide
CID 143788196
N-(2-aminophenyl)-5-[(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)methyl]thiophene-2-carboxamide
CID 58708375

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide (CID 11222430) is N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide is Nc1ccccc1NC(=O)c1ccc(CO/N=C/c2ccc(F)cc2)s1.
What is the InChIKey of N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide?
The InChIKey is AUKJXOXFRGSZGD-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-14-7-5-13(6-8-14)11-22-25-12-15-9-10-18(26-15)19(24)23-17-4-2-1-3-16(17)21/h1-11H,12,21H2,(H,23,24)/b22-11+.
What are the key properties of N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide?
N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[(E)-(4-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11222430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).