2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide

C22H19Cl2N3OS — CID 141242370

IUPAC2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCc2sc(-c3cccc(Cl)c3)cc2C1)NN=Cc1ccccc1Cl
InChIInChI=1S/C22H19Cl2N3OS/c23-18-6-3-5-15(10-18)21-11-17-13-27(9-8-20(17)29-21)14-22(28)26-25-12-16-4-1-2-7-19(16)24/h1-7,10-12H,8-9,13-14H2,(H,26,28)
InChIKeyVEBWHBRWZYCPDI-UHFFFAOYSA-N
MW444.39 g/mol
LogP5.23
Rot. Bonds5

About 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide

2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide (PubChem CID 141242370) has the molecular formula C22H19Cl2N3OS and a molecular weight of 444.39 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide
PubChem CID141242370
Molecular FormulaC22H19Cl2N3OS
Molecular Weight444.39 g/mol
Exact Mass443.06
IUPAC Name2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide
SMILESO=C(CN1CCc2sc(-c3cccc(Cl)c3)cc2C1)NN=Cc1ccccc1Cl
InChIInChI=1S/C22H19Cl2N3OS/c23-18-6-3-5-15(10-18)21-11-17-13-27(9-8-20(17)29-21)14-22(28)26-25-12-16-4-1-2-7-19(16)24/h1-7,10-12H,8-9,13-14H2,(H,26,28)
InChIKeyVEBWHBRWZYCPDI-UHFFFAOYSA-N
XLogP5.23
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.39
LogP ≤ 55.23
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)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5411350
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 6886093
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
2-thiomorpholin-4-yl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5338380
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6887474
2-[(Z)-[(2-piperidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426518
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 126228664
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide (CID 141242370) is 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide is O=C(CN1CCc2sc(-c3cccc(Cl)c3)cc2C1)NN=Cc1ccccc1Cl.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide?
The InChIKey is VEBWHBRWZYCPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3OS/c23-18-6-3-5-15(10-18)21-11-17-13-27(9-8-20(17)29-21)14-22(28)26-25-12-16-4-1-2-7-19(16)24/h1-7,10-12H,8-9,13-14H2,(H,26,28).
What are the key properties of 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide?
2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide has a molecular weight of 444.39 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(2-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 141242370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).