N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide

C17H11Cl2N3OS — CID 40646819

IUPACN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1N=Cc1ccccn1
InChIInChI=1S/C17H11Cl2N3OS/c18-14-5-4-11(9-15(14)19)22-16(23)13-6-8-24-17(13)21-10-12-3-1-2-7-20-12/h1-10H,(H,22,23)
InChIKeyPTRTZSJBVKUXTE-UHFFFAOYSA-N
MW376.27 g/mol
LogP5.45
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide

N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide (PubChem CID 40646819) has the molecular formula C17H11Cl2N3OS and a molecular weight of 376.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide
PubChem CID40646819
Molecular FormulaC17H11Cl2N3OS
Molecular Weight376.27 g/mol
Exact Mass375.00
IUPAC NameN-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1N=Cc1ccccn1
InChIInChI=1S/C17H11Cl2N3OS/c18-14-5-4-11(9-15(14)19)22-16(23)13-6-8-24-17(13)21-10-12-3-1-2-7-20-12/h1-10H,(H,22,23)
InChIKeyPTRTZSJBVKUXTE-UHFFFAOYSA-N
XLogP5.45
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.27
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-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

2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
CID 40609551
2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 17371882
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-[2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 28985135
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 138546105
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-[4-[4-(pyridin-2-ylmethylideneamino)-N-[4-(pyridin-2-ylmethylideneamino)phenyl]anilino]phenyl]acetamide
CID 139123330
N-(3,4-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442671

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide (CID 40646819) is N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccsc1N=Cc1ccccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide?
The InChIKey is PTRTZSJBVKUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3OS/c18-14-5-4-11(9-15(14)19)22-16(23)13-6-8-24-17(13)21-10-12-3-1-2-7-20-12/h1-10H,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide?
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide has a molecular weight of 376.27 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylideneamino)thiophene-3-carboxamide is sourced from PubChem (CID 40646819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).