N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide

C17H14N2O2S — CID 6737120

IUPACN-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1C=NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14N2O2S/c1-21-14-8-4-2-7-13(14)11-18-19-17(20)16-10-12-6-3-5-9-15(12)22-16/h2-11H,1H3,(H,19,20)
InChIKeyGKWYTCJSWWONFV-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.67
Rot. Bonds4

About N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide

N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide (PubChem CID 6737120) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
PubChem CID6737120
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccccc1C=NNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C17H14N2O2S/c1-21-14-8-4-2-7-13(14)11-18-19-17(20)16-10-12-6-3-5-9-15(12)22-16/h2-11H,1H3,(H,19,20)
InChIKeyGKWYTCJSWWONFV-UHFFFAOYSA-N
XLogP3.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.67
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-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 45109543
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 5104546
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
2,4-dihydroxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 6287752
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4215003
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6279718

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide (CID 6737120) is N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is COc1ccccc1C=NNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The InChIKey is GKWYTCJSWWONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-21-14-8-4-2-7-13(14)11-18-19-17(20)16-10-12-6-3-5-9-15(12)22-16/h2-11H,1H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 6737120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).