N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H19Cl2N3OS — CID 25251262

IUPACN-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H19Cl2N3OS/c1-27-10-9-18-19(13-27)29-22(25-12-14-3-2-4-16(24)11-14)20(18)21(28)26-17-7-5-15(23)6-8-17/h2-8,11-12H,9-10,13H2,1H3,(H,26,28)/b25-12+
InChIKeyBCWNNTMSZASVJY-BRJLIKDPSA-N
MW444.39 g/mol
LogP6.05
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 25251262) has the molecular formula C22H19Cl2N3OS and a molecular weight of 444.39 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID25251262
Molecular FormulaC22H19Cl2N3OS
Molecular Weight444.39 g/mol
Exact Mass443.06
IUPAC NameN-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H19Cl2N3OS/c1-27-10-9-18-19(13-27)29-22(25-12-14-3-2-4-16(24)11-14)20(18)21(28)26-17-7-5-15(23)6-8-17/h2-8,11-12H,9-10,13H2,1H3,(H,26,28)/b25-12+
InChIKeyBCWNNTMSZASVJY-BRJLIKDPSA-N
XLogP6.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-tert-butyl-N-(4-chlorophenyl)-2-[(3-iodophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126095028
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4081548
(6R)-2-(benzylideneamino)-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26875052
2-[(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126167152
(6R)-6-tert-butyl-N-(4-chlorophenyl)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126086632
(6S)-6-tert-butyl-2-[(3-chloro-4-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126090063
(6S)-6-tert-butyl-N-(4-chlorophenyl)-2-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126094830
(6R)-6-tert-butyl-N-(4-chlorophenyl)-2-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126086436
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-phenyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 137051448
(6S)-6-tert-butyl-2-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 126125767
(6S)-6-tert-butyl-N-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137085861
N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
CID 56695198

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 25251262) is N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BCWNNTMSZASVJY-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H19Cl2N3OS/c1-27-10-9-18-19(13-27)29-22(25-12-14-3-2-4-16(24)11-14)20(18)21(28)26-17-7-5-15(23)6-8-17/h2-8,11-12H,9-10,13H2,1H3,(H,26,28)/b25-12+.
What are the key properties of N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 444.39 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(E)-(3-chlorophenyl)methylideneamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 25251262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).