N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

C14H16N2OS2 — CID 5412339

IUPACN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2csc(C)c2C)s1
InChIInChI=1S/C14H16N2OS2/c1-4-11-5-6-12(19-11)7-15-16-14(17)13-8-18-10(3)9(13)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-7-
InChIKeyUWUPXUARXFOMDU-CHHVJCJISA-N
MW292.43 g/mol
LogP3.75
Rot. Bonds4

About N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide

N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 5412339) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID5412339
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCc1ccc(/C=N\NC(=O)c2csc(C)c2C)s1
InChIInChI=1S/C14H16N2OS2/c1-4-11-5-6-12(19-11)7-15-16-14(17)13-8-18-10(3)9(13)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-7-
InChIKeyUWUPXUARXFOMDU-CHHVJCJISA-N
XLogP3.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.75
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-[(5-ethylthiophen-2-yl)methylideneamino]-4-methylbenzamide
CID 4188286
N-[(5-ethylthiophen-2-yl)methylideneamino]-2-fluorobenzamide
CID 5157104
N-[(5-ethylthiophen-2-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 840834
3-bromo-N-[(5-ethylthiophen-2-yl)methylideneamino]benzamide
CID 4187812
N-[(E)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 6875053
N-[(Z)-(2-chlorophenyl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide
CID 5412225
N-[(5-ethylthiophen-2-yl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 4122673
3-chloro-N-[(5-ethylthiophen-2-yl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 5084932
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide (CID 5412339) is N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is CCc1ccc(/C=N\NC(=O)c2csc(C)c2C)s1.
What is the InChIKey of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is UWUPXUARXFOMDU-CHHVJCJISA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-4-11-5-6-12(19-11)7-15-16-14(17)13-8-18-10(3)9(13)2/h5-8H,4H2,1-3H3,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide?
N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-ethylthiophen-2-yl)methylideneamino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 5412339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).