3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C21H21N3O3S — CID 8869947

IUPAC3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1sc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C21H21N3O3S/c1-3-27-18-7-5-4-6-15(18)13-23-24-21(25)20-17(22)12-19(28-20)14-8-10-16(26-2)11-9-14/h4-13H,3,22H2,1-2H3,(H,24,25)/b23-13-
InChIKeyXFWGNDPYELJENC-QRVIBDJDSA-N
MW395.48 g/mol
LogP4.17
Rot. Bonds7

About 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 8869947) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID8869947
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1sc(-c2ccc(OC)cc2)cc1N
InChIInChI=1S/C21H21N3O3S/c1-3-27-18-7-5-4-6-15(18)13-23-24-21(25)20-17(22)12-19(28-20)14-8-10-16(26-2)11-9-14/h4-13H,3,22H2,1-2H3,(H,24,25)/b23-13-
InChIKeyXFWGNDPYELJENC-QRVIBDJDSA-N
XLogP4.17
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
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

N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(2-ethoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3978554
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 126273932
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 8869947) is 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is CCOc1ccccc1/C=N\NC(=O)c1sc(-c2ccc(OC)cc2)cc1N.
What is the InChIKey of 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is XFWGNDPYELJENC-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-27-18-7-5-4-6-15(18)13-23-24-21(25)20-17(22)12-19(28-20)14-8-10-16(26-2)11-9-14/h4-13H,3,22H2,1-2H3,(H,24,25)/b23-13-.
What are the key properties of 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8869947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).