N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide

C19H17N3O3S — CID 135541816

IUPACN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide
SMILESC/C(=N/OCC(=O)N/N=C/c1sc2ccccc2c1O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-13(14-7-3-2-4-8-14)22-25-12-18(23)21-20-11-17-19(24)15-9-5-6-10-16(15)26-17/h2-11,24H,12H2,1H3,(H,21,23)/b20-11+,22-13-
InChIKeyPVNWPQAAZZFDQG-WDZAAMDOSA-N
MW367.43 g/mol
LogP3.50
Rot. Bonds6

About N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide

N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide (PubChem CID 135541816) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide
PubChem CID135541816
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide
SMILESC/C(=N/OCC(=O)N/N=C/c1sc2ccccc2c1O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-13(14-7-3-2-4-8-14)22-25-12-18(23)21-20-11-17-19(24)15-9-5-6-10-16(15)26-17/h2-11,24H,12H2,1H3,(H,21,23)/b20-11+,22-13-
InChIKeyPVNWPQAAZZFDQG-WDZAAMDOSA-N
XLogP3.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', '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 N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide?
The IUPAC name of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide (CID 135541816) is N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide?
The canonical SMILES for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide is C/C(=N/OCC(=O)N/N=C/c1sc2ccccc2c1O)c1ccccc1.
What is the InChIKey of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide?
The InChIKey is PVNWPQAAZZFDQG-WDZAAMDOSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13(14-7-3-2-4-8-14)22-25-12-18(23)21-20-11-17-19(24)15-9-5-6-10-16(15)26-17/h2-11,24H,12H2,1H3,(H,21,23)/b20-11+,22-13-.
What are the key properties of N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide?
N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide has a molecular weight of 367.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-1-benzothiophen-2-yl)methylideneamino]-2-[(Z)-1-phenylethylideneamino]oxyacetamide is sourced from PubChem (CID 135541816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).