N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide

C20H14FN3O2S — CID 9298316

IUPACN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H14FN3O2S/c21-16-5-3-15(4-6-16)18-9-10-19(27-18)20(25)24-23-13-14-1-7-17(8-2-14)26-12-11-22/h1-10,13H,12H2,(H,24,25)/b23-13-
InChIKeyNOLWGJMEDPXFNG-QRVIBDJDSA-N
MW379.42 g/mol
LogP4.22
Rot. Bonds6

About N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 9298316) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID9298316
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC NameN-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESN#CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C20H14FN3O2S/c21-16-5-3-15(4-6-16)18-9-10-19(27-18)20(25)24-23-13-14-1-7-17(8-2-14)26-12-11-22/h1-10,13H,12H2,(H,24,25)/b23-13-
InChIKeyNOLWGJMEDPXFNG-QRVIBDJDSA-N
XLogP4.22
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.22
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'}

Analyze N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9183125
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 6887548
2-[2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9182743
4-(benzylsulfanylmethyl)-N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]benzamide
CID 5345894
methyl 2-[(Z)-[[5-(4-fluorophenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]benzoate
CID 9298313
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
5-chloro-N-[(E)-(4-ethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6874584
2-(4-chlorophenoxy)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 3979326
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 9298316) is N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide is N#CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is NOLWGJMEDPXFNG-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-16-5-3-15(4-6-16)18-9-10-19(27-18)20(25)24-23-13-14-1-7-17(8-2-14)26-12-11-22/h1-10,13H,12H2,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9298316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).