N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide

C19H18N2O2S — CID 45109543

IUPACN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3s2)c(C)c1C
InChIInChI=1S/C19H18N2O2S/c1-12-13(2)16(23-3)9-8-15(12)11-20-21-19(22)18-10-14-6-4-5-7-17(14)24-18/h4-11H,1-3H3,(H,21,22)/b20-11+
InChIKeyGRBUWAZQKKRRKV-RGVLZGJSSA-N
MW338.43 g/mol
LogP4.29
Rot. Bonds4

About N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide

N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide (PubChem CID 45109543) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
PubChem CID45109543
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3s2)c(C)c1C
InChIInChI=1S/C19H18N2O2S/c1-12-13(2)16(23-3)9-8-15(12)11-20-21-19(22)18-10-14-6-4-5-7-17(14)24-18/h4-11H,1-3H3,(H,21,22)/b20-11+
InChIKeyGRBUWAZQKKRRKV-RGVLZGJSSA-N
XLogP4.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.29
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-[(2-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 6737120
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 5104546
N-[(Z)-(4-ethoxynaphthalen-1-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6299518
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 24673618
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
CID 61406778
2-(2,6-dimethylphenoxy)-N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]acetamide
CID 4980965
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4002276
5-chloro-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-methoxybenzamide
CID 45109213

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide (CID 45109543) is N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3s2)c(C)c1C.
What is the InChIKey of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
The InChIKey is GRBUWAZQKKRRKV-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-13(2)16(23-3)9-8-15(12)11-20-21-19(22)18-10-14-6-4-5-7-17(14)24-18/h4-11H,1-3H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide?
N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-2,3-dimethylphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 45109543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).