N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide

C14H14N2O3S — CID 2643472

IUPACN-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccs2)cc(OC)c1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17)
InChIKeyJKJCGIWSUZUPNK-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.53
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 2643472) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID2643472
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cccs2)cc(OC)c1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17)
InChIKeyJKJCGIWSUZUPNK-UHFFFAOYSA-N
XLogP2.53
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(E)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 50855304
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
CID 1177176
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(E)-(3,4-diethoxy-5-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 21380084
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 2643472) is N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide is COc1cc(C=NNC(=O)c2cccs2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is JKJCGIWSUZUPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-11-6-10(7-12(8-11)19-2)9-15-16-14(17)13-4-3-5-20-13/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 2643472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).