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

C20H18N2O2S — CID 9027392

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-3-7-16(8-4-14)18-11-12-25-19(18)20(23)22-21-13-15-5-9-17(24-2)10-6-15/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeyIOZNMDPHLFKEJD-BKUYFWCQSA-N
MW350.44 g/mol
LogP4.50
Rot. Bonds5

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

N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9027392) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9027392
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sccc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-3-7-16(8-4-14)18-11-12-25-19(18)20(23)22-21-13-15-5-9-17(24-2)10-6-15/h3-13H,1-2H3,(H,22,23)/b21-13-
InChIKeyIOZNMDPHLFKEJD-BKUYFWCQSA-N
XLogP4.50
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
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

N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027481
N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027506
2-methoxy-4-[(Z)-[[3-(4-methylphenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 9027572
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027531
N-[(4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)propanamide
CID 19165293
[4-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6043565
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3250495
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9027392) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is COc1ccc(/C=N\NC(=O)c2sccc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is IOZNMDPHLFKEJD-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-3-7-16(8-4-14)18-11-12-25-19(18)20(23)22-21-13-15-5-9-17(24-2)10-6-15/h3-13H,1-2H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9027392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).