N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide

C16H16N2O2S — CID 4928852

IUPACN-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1sccc1C
InChIInChI=1S/C16H16N2O2S/c1-3-9-20-14-7-5-4-6-13(14)16(19)18-17-11-15-12(2)8-10-21-15/h3-8,10-11H,1,9H2,2H3,(H,18,19)
InChIKeyBWJYFLZDXIJEKX-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.39
Rot. Bonds6

About N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide

N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928852) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928852
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1sccc1C
InChIInChI=1S/C16H16N2O2S/c1-3-9-20-14-7-5-4-6-13(14)16(19)18-17-11-15-12(2)8-10-21-15/h3-8,10-11H,1,9H2,2H3,(H,18,19)
InChIKeyBWJYFLZDXIJEKX-UHFFFAOYSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928918
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928862
3-methoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6090091
3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6031116
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 910531
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
N-[(3-methylthiophen-2-yl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 3263674
4-iodo-3-methoxy-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 3431071
3-hydroxy-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 6911453
2,5-dimethyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 5412705

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide (CID 4928852) is N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=Cc1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is BWJYFLZDXIJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-9-20-14-7-5-4-6-13(14)16(19)18-17-11-15-12(2)8-10-21-15/h3-8,10-11H,1,9H2,2H3,(H,18,19).
What are the key properties of N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide?
N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).