2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

C17H19N3O5S — CID 135822348

IUPAC2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H19N3O5S/c1-2-25-16-10-13(8-9-15(16)21)11-18-20-17(22)12-19-26(23,24)14-6-4-3-5-7-14/h3-11,19,21H,2,12H2,1H3,(H,20,22)/b18-11+
InChIKeyAOYAKAZMXTXZIB-WOJGMQOQSA-N
MW377.42 g/mol
LogP1.22
Rot. Bonds8

About 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135822348) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135822348
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1O
InChIInChI=1S/C17H19N3O5S/c1-2-25-16-10-13(8-9-15(16)21)11-18-20-17(22)12-19-26(23,24)14-6-4-3-5-7-14/h3-11,19,21H,2,12H2,1H3,(H,20,22)/b18-11+
InChIKeyAOYAKAZMXTXZIB-WOJGMQOQSA-N
XLogP1.22
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (CID 135822348) is 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1O.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is AOYAKAZMXTXZIB-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-2-25-16-10-13(8-9-15(16)21)11-18-20-17(22)12-19-26(23,24)14-6-4-3-5-7-14/h3-11,19,21H,2,12H2,1H3,(H,20,22)/b18-11+.
What are the key properties of 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 377.42 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135822348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).