2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide

C19H14Cl2N2O2S — CID 17371882

IUPAC2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O2S/c1-25-17-7-4-14(21)10-12(17)11-22-19-16(8-9-26-19)18(24)23-15-5-2-13(20)3-6-15/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyRAJSXOGDSAMRCR-SSDVNMTOSA-N
MW405.31 g/mol
LogP6.07
Rot. Bonds5

About 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide

2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide (PubChem CID 17371882) has the molecular formula C19H14Cl2N2O2S and a molecular weight of 405.31 g/mol. Its IUPAC name is 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
PubChem CID17371882
Molecular FormulaC19H14Cl2N2O2S
Molecular Weight405.31 g/mol
Exact Mass404.02
IUPAC Name2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide
SMILESCOc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N2O2S/c1-25-17-7-4-14(21)10-12(17)11-22-19-16(8-9-26-19)18(24)23-15-5-2-13(20)3-6-15/h2-11H,1H3,(H,23,24)/b22-11+
InChIKeyRAJSXOGDSAMRCR-SSDVNMTOSA-N
XLogP6.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.31
LogP ≤ 56.07
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

2-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
CID 40619113
N-(4-chlorophenyl)-2-[[2-(2-methylpropoxy)phenyl]methylideneamino]thiophene-3-carboxamide
CID 40609551
2-[(E)-[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 17371873
2-[[5-chloro-2-(2-methylpropoxy)phenyl]methylideneamino]-N-propylthiophene-3-carboxamide
CID 40610904
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,4,5-trihydroxybenzamide
CID 123734765
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
[(Z)-(2,5-dimethoxyphenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5400870
N'-[(5-chloro-2-methoxyphenyl)methylideneamino]-N-phenylbutanediamide
CID 5003294
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide (CID 17371882) is 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide is COc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is RAJSXOGDSAMRCR-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2S/c1-25-17-7-4-14(21)10-12(17)11-22-19-16(8-9-26-19)18(24)23-15-5-2-13(20)3-6-15/h2-11H,1H3,(H,23,24)/b22-11+.
What are the key properties of 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide?
2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide has a molecular weight of 405.31 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 17371882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).