N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide

C14H13FN2O3S — CID 155881783

IUPACN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(F)s2)c1OC
InChIInChI=1S/C14H13FN2O3S/c1-19-10-5-3-4-9(13(10)20-2)8-16-17-14(18)11-6-7-12(15)21-11/h3-8H,1-2H3,(H,17,18)/b16-8+
InChIKeyXHWOGKBXSYCVQB-LZYBPNLTSA-N
MW308.33 g/mol
LogP2.67
Rot. Bonds5

About N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide

N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide (PubChem CID 155881783) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
PubChem CID155881783
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(F)s2)c1OC
InChIInChI=1S/C14H13FN2O3S/c1-19-10-5-3-4-9(13(10)20-2)8-16-17-14(18)11-6-7-12(15)21-11/h3-8H,1-2H3,(H,17,18)/b16-8+
InChIKeyXHWOGKBXSYCVQB-LZYBPNLTSA-N
XLogP2.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881796
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110337125
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881784
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide (CID 155881783) is N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide is COc1cccc(/C=N/NC(=O)c2ccc(F)s2)c1OC.
What is the InChIKey of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide?
The InChIKey is XHWOGKBXSYCVQB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-19-10-5-3-4-9(13(10)20-2)8-16-17-14(18)11-6-7-12(15)21-11/h3-8H,1-2H3,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide?
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide is sourced from PubChem (CID 155881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).