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

C20H15N3OS — CID 9027481

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H15N3OS/c1-14-2-8-17(9-3-14)18-10-11-25-19(18)20(24)23-22-13-16-6-4-15(12-21)5-7-16/h2-11,13H,1H3,(H,23,24)/b22-13-
InChIKeyJYOCYELYCOPONG-XKZIYDEJSA-N
MW345.43 g/mol
LogP4.36
Rot. Bonds4

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

N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 9027481) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID9027481
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H15N3OS/c1-14-2-8-17(9-3-14)18-10-11-25-19(18)20(24)23-22-13-16-6-4-15(12-21)5-7-16/h2-11,13H,1H3,(H,23,24)/b22-13-
InChIKeyJYOCYELYCOPONG-XKZIYDEJSA-N
XLogP4.36
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.36
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-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027392
N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027506
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027531
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
2-methoxy-4-[(Z)-[[3-(4-methylphenyl)thiophene-2-carbonyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 9027572
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 8871536
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 841409
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 9027481) is N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)N/N=C\c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is JYOCYELYCOPONG-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-14-2-8-17(9-3-14)18-10-11-25-19(18)20(24)23-22-13-16-6-4-15(12-21)5-7-16/h2-11,13H,1H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 9027481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).