N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H14Cl2N2OS2 — CID 6383516

IUPACN-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc2c1CCCC2)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H14Cl2N2OS2/c1-8(10-6-13(16)22-14(10)17)18-19-15(20)11-7-21-12-5-3-2-4-9(11)12/h6-7H,2-5H2,1H3,(H,19,20)/b18-8-
InChIKeySSQZCNJROPPIMK-LSCVHKIXSA-N
MW373.33 g/mol
LogP5.15
Rot. Bonds3

About N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 6383516) has the molecular formula C15H14Cl2N2OS2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID6383516
Molecular FormulaC15H14Cl2N2OS2
Molecular Weight373.33 g/mol
Exact Mass371.99
IUPAC NameN-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC/C(=N/NC(=O)c1csc2c1CCCC2)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H14Cl2N2OS2/c1-8(10-6-13(16)22-14(10)17)18-19-15(20)11-7-21-12-5-3-2-4-9(11)12/h6-7H,2-5H2,1H3,(H,19,20)/b18-8-
InChIKeySSQZCNJROPPIMK-LSCVHKIXSA-N
XLogP5.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.15
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-[1-[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5013052
N-[(E)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]furan-2-carboxamide
CID 5412328
N-[2-[(propan-2-ylideneamino)carbamoyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262681
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5455002
N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4248880
N-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18863092
N-(5-chloro-2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245385
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394066
N-[(Z)-(4-methylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5410842
N-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
N'-(5-methylthiophene-3-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 3119755
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881849

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 6383516) is N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C/C(=N/NC(=O)c1csc2c1CCCC2)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is SSQZCNJROPPIMK-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS2/c1-8(10-6-13(16)22-14(10)17)18-19-15(20)11-7-21-12-5-3-2-4-9(11)12/h6-7H,2-5H2,1H3,(H,19,20)/b18-8-.
What are the key properties of N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dichlorothiophen-3-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6383516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).