3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide

C19H24N2O4S — CID 6031116

IUPAC3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C\c2sccc2C)cc(OCC)c1OCC
InChIInChI=1S/C19H24N2O4S/c1-5-23-15-10-14(11-16(24-6-2)18(15)25-7-3)19(22)21-20-12-17-13(4)8-9-26-17/h8-12H,5-7H2,1-4H3,(H,21,22)/b20-12-
InChIKeyVAQDJTPCAACYLS-NDENLUEZSA-N
MW376.48 g/mol
LogP4.02
Rot. Bonds9

About 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide

3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 6031116) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID6031116
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCCOc1cc(C(=O)N/N=C\c2sccc2C)cc(OCC)c1OCC
InChIInChI=1S/C19H24N2O4S/c1-5-23-15-10-14(11-16(24-6-2)18(15)25-7-3)19(22)21-20-12-17-13(4)8-9-26-17/h8-12H,5-7H2,1-4H3,(H,21,22)/b20-12-
InChIKeyVAQDJTPCAACYLS-NDENLUEZSA-N
XLogP4.02
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-iodo-3-methoxy-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 3431071
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 910531
4-(3-methylbutoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]benzamide
CID 4927369
N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928852
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
3,4,5-triethoxy-N-[(Z)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]benzamide
CID 5431522
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6883293
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 5424776
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]pentanamide
CID 6873587
3-methoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 6090091

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide (CID 6031116) is 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide is CCOc1cc(C(=O)N/N=C\c2sccc2C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is VAQDJTPCAACYLS-NDENLUEZSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-5-23-15-10-14(11-16(24-6-2)18(15)25-7-3)19(22)21-20-12-17-13(4)8-9-26-17/h8-12H,5-7H2,1-4H3,(H,21,22)/b20-12-.
What are the key properties of 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide?
3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 376.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6031116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).