(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide

C14H10N2O2S — CID 6883967

IUPAC(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2S/c17-14(8-15-18)16-9-5-6-13-11(7-9)10-3-1-2-4-12(10)19-13/h1-8,18H,(H,16,17)/b15-8+
InChIKeyLVNLTLKEXZTLQO-OVCLIPMQSA-N
MW270.31 g/mol
LogP3.45
Rot. Bonds2

About (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide

(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide (PubChem CID 6883967) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide
PubChem CID6883967
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide
SMILESO=C(/C=N/O)Nc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2S/c17-14(8-15-18)16-9-5-6-13-11(7-9)10-3-1-2-4-12(10)19-13/h1-8,18H,(H,16,17)/b15-8+
InChIKeyLVNLTLKEXZTLQO-OVCLIPMQSA-N
XLogP3.45
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide (CID 6883967) is (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide is O=C(/C=N/O)Nc1ccc2sc3ccccc3c2c1.
What is the InChIKey of (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide?
The InChIKey is LVNLTLKEXZTLQO-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(8-15-18)16-9-5-6-13-11(7-9)10-3-1-2-4-12(10)19-13/h1-8,18H,(H,16,17)/b15-8+.
What are the key properties of (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide?
(2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide has a molecular weight of 270.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-dibenzothiophen-2-yl-2-hydroxyiminoacetamide is sourced from PubChem (CID 6883967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).