N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide

C12H8Cl2N2OS — CID 6880531

IUPACN-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H8Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7+
InChIKeyGMRMGARSRKACKI-VIZOYTHASA-N
MW299.18 g/mol
LogP3.82
Rot. Bonds3

About N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 6880531) has the molecular formula C12H8Cl2N2OS and a molecular weight of 299.18 g/mol. Its IUPAC name is N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID6880531
Molecular FormulaC12H8Cl2N2OS
Molecular Weight299.18 g/mol
Exact Mass297.97
IUPAC NameN-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccs1
InChIInChI=1S/C12H8Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7+
InChIKeyGMRMGARSRKACKI-VIZOYTHASA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 53.82
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'}

Analyze N-[(E)-(3,4-dichlorophenyl)methylideneamino]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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide (CID 6880531) is N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is GMRMGARSRKACKI-VIZOYTHASA-N. The full InChI is InChI=1S/C12H8Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-15-16-12(17)11-2-1-5-18-11/h1-7H,(H,16,17)/b15-7+.
What are the key properties of N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 299.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dichlorophenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6880531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).