N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide

C15H16N2O2S — CID 4981001

IUPACN-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C15H16N2O2S/c1-10-11(2)13(19-3)7-6-12(10)9-16-17-15(18)14-5-4-8-20-14/h4-9H,1-3H3,(H,17,18)
InChIKeyFEDXSYSGIGBHIQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide

N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 4981001) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID4981001
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cccs2)c(C)c1C
InChIInChI=1S/C15H16N2O2S/c1-10-11(2)13(19-3)7-6-12(10)9-16-17-15(18)14-5-4-8-20-14/h4-9H,1-3H3,(H,17,18)
InChIKeyFEDXSYSGIGBHIQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.14
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
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(E)-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 126114114
N-[(Z)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135735432
N-[(E)-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135533806
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-methylthiophene-2-carboxamide
CID 5410848
[2-methoxy-4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
CID 171985527
[2-methoxy-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] pyridine-4-carboxylate
CID 9211835

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide (CID 4981001) is N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide is COc1ccc(C=NNC(=O)c2cccs2)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is FEDXSYSGIGBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-11(2)13(19-3)7-6-12(10)9-16-17-15(18)14-5-4-8-20-14/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 4981001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).