N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide

C19H15FN2OS — CID 9027506

IUPACN-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N/N=C\c2cccc(F)c2)cc1
InChIInChI=1S/C19H15FN2OS/c1-13-5-7-15(8-6-13)17-9-10-24-18(17)19(23)22-21-12-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyOLEBZTWVOFQIFJ-MTJSOVHGSA-N
MW338.41 g/mol
LogP4.63
Rot. Bonds4

About N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9027506) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9027506
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC NameN-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N/N=C\c2cccc(F)c2)cc1
InChIInChI=1S/C19H15FN2OS/c1-13-5-7-15(8-6-13)17-9-10-24-18(17)19(23)22-21-12-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyOLEBZTWVOFQIFJ-MTJSOVHGSA-N
XLogP4.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027392
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027481
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027531
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 841340
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
2-methoxy-4-[(Z)-[[3-(4-methylphenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 9027572
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55450440
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175012801
3-chloro-N-[(3-fluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5011440
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9027506) is N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)N/N=C\c2cccc(F)c2)cc1.
What is the InChIKey of N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is OLEBZTWVOFQIFJ-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-13-5-7-15(8-6-13)17-9-10-24-18(17)19(23)22-21-12-14-3-2-4-16(20)11-14/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).