3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

C14H14N2OS2 — CID 841409

IUPAC3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(C=NNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H14N2OS2/c1-10-7-8-19-13(10)14(17)16-15-9-11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,16,17)
InChIKeyHDJBACDAFGUXRA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.54
Rot. Bonds4

About 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 841409) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID841409
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(C=NNC(=O)c2sccc2C)cc1
InChIInChI=1S/C14H14N2OS2/c1-10-7-8-19-13(10)14(17)16-15-9-11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,16,17)
InChIKeyHDJBACDAFGUXRA-UHFFFAOYSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.54
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-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 171133970
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 5402665
N-[(4-methylsulfanylphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 761333
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (CID 841409) is 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is CSc1ccc(C=NNC(=O)c2sccc2C)cc1.
What is the InChIKey of 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is HDJBACDAFGUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-10-7-8-19-13(10)14(17)16-15-9-11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 841409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).