N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

C14H13ClN2OS — CID 5412225

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C\c2ccccc2Cl)c1C
InChIInChI=1S/C14H13ClN2OS/c1-9-10(2)19-8-12(9)14(18)17-16-7-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18)/b16-7-
InChIKeyNNSTZPDRWVVGSF-APSNUPSMSA-N
MW292.79 g/mol
LogP3.78
Rot. Bonds3

About N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 5412225) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID5412225
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1scc(C(=O)N/N=C\c2ccccc2Cl)c1C
InChIInChI=1S/C14H13ClN2OS/c1-9-10(2)19-8-12(9)14(18)17-16-7-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18)/b16-7-
InChIKeyNNSTZPDRWVVGSF-APSNUPSMSA-N
XLogP3.78
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.78
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-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-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-[(E)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6875053
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760437
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5404066
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412339
N-[2-[[(2-chlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284890
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 5412225) is N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is Cc1scc(C(=O)N/N=C\c2ccccc2Cl)c1C.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is NNSTZPDRWVVGSF-APSNUPSMSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-10(2)19-8-12(9)14(18)17-16-7-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18)/b16-7-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 5412225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).