5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide

C20H18N2O2S — CID 135647739

IUPAC5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cs1
InChIInChI=1S/C20H18N2O2S/c1-2-18-12-16(13-25-18)20(24)22-21-19(14-6-4-3-5-7-14)15-8-10-17(23)11-9-15/h3-13,23H,2H2,1H3,(H,22,24)/b21-19+
InChIKeyWSAUNYYZRRIBGJ-XUTLUUPISA-N
MW350.44 g/mol
LogP4.20
Rot. Bonds5

About 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide

5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide (PubChem CID 135647739) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
PubChem CID135647739
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
SMILESCCc1cc(C(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cs1
InChIInChI=1S/C20H18N2O2S/c1-2-18-12-16(13-25-18)20(24)22-21-19(14-6-4-3-5-7-14)15-8-10-17(23)11-9-15/h3-13,23H,2H2,1H3,(H,22,24)/b21-19+
InChIKeyWSAUNYYZRRIBGJ-XUTLUUPISA-N
XLogP4.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide (CID 135647739) is 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide is CCc1cc(C(=O)N/N=C(\c2ccccc2)c2ccc(O)cc2)cs1.
What is the InChIKey of 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide?
The InChIKey is WSAUNYYZRRIBGJ-XUTLUUPISA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-2-18-12-16(13-25-18)20(24)22-21-19(14-6-4-3-5-7-14)15-8-10-17(23)11-9-15/h3-13,23H,2H2,1H3,(H,22,24)/b21-19+.
What are the key properties of 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide?
5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide is sourced from PubChem (CID 135647739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).