oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium

C17H12N2O2S — CID 177458462

IUPACoxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium
SMILESO=C(c1cccs1)c1ccccc1/N=[N+](\[O-])c1ccccc1
InChIInChI=1S/C17H12N2O2S/c20-17(16-11-6-12-22-16)14-9-4-5-10-15(14)18-19(21)13-7-2-1-3-8-13/h1-12H/b19-18-
InChIKeyATQYVPFHBXISSD-HNENSFHCSA-N
MW308.36 g/mol
LogP4.90
Rot. Bonds4

About oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium

oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium (PubChem CID 177458462) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium.

Molecular Properties

Compound Nameoxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium
PubChem CID177458462
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Nameoxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium
SMILESO=C(c1cccs1)c1ccccc1/N=[N+](\[O-])c1ccccc1
InChIInChI=1S/C17H12N2O2S/c20-17(16-11-6-12-22-16)14-9-4-5-10-15(14)18-19(21)13-7-2-1-3-8-13/h1-12H/b19-18-
InChIKeyATQYVPFHBXISSD-HNENSFHCSA-N
XLogP4.90
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2-phenyldiazenylphenyl)-thiophen-2-ylmethanone
CID 138980695
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
3-[ethyl-[2-(thiophene-2-carbonyl)benzoyl]amino]propanoic acid
CID 100650340
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
oxido(thiophene-2-carbonyl)azanium
CID 141173864
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599
2-(2-nitrosophenyl)ethyl 2-(thiophene-2-carbonyl)benzoate
CID 89147756
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
N-[2-(thiophene-2-carbonyl)phenyl]methanesulfonamide
CID 11140539
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058

Frequently Asked Questions

What is the IUPAC name of oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium?
The IUPAC name of oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium (CID 177458462) is oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium.
What is the SMILES notation for oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium?
The canonical SMILES for oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium is O=C(c1cccs1)c1ccccc1/N=[N+](\[O-])c1ccccc1.
What is the InChIKey of oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium?
The InChIKey is ATQYVPFHBXISSD-HNENSFHCSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-17(16-11-6-12-22-16)14-9-4-5-10-15(14)18-19(21)13-7-2-1-3-8-13/h1-12H/b19-18-.
What are the key properties of oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium?
oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium has a molecular weight of 308.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-phenyl-[2-(thiophene-2-carbonyl)phenyl]iminoazanium is sourced from PubChem (CID 177458462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).