N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide

C16H14N2O2S — CID 24859715

IUPACN'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N\O)c1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c17-16(18-19)15-8-12-6-7-13(9-14(12)21-15)20-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,17,18)
InChIKeyLYFPDZZIDSTVGZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.57
Rot. Bonds4

About N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide

N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide (PubChem CID 24859715) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
PubChem CID24859715
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide
SMILESN/C(=N\O)c1cc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c17-16(18-19)15-8-12-6-7-13(9-14(12)21-15)20-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,17,18)
InChIKeyLYFPDZZIDSTVGZ-UHFFFAOYSA-N
XLogP3.57
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-phenylmethoxy-1-benzothiophene
CID 174512240
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
2-[4-(6-phenylmethoxy-1-benzothiophen-2-yl)phenoxy]ethanamine
CID 57244323
benzyl 6-iodo-1-benzothiophene-2-carboxylate
CID 155152793
2-(6-phenylmethoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106719
3-bromo-6-phenylmethoxy-1-benzothiophen-2-ol
CID 21186569
ethyl 6-(pyridin-2-ylmethoxy)-1-benzothiophene-2-carboxylate
CID 169229591
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide (CID 24859715) is N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide is N/C(=N\O)c1cc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide?
The InChIKey is LYFPDZZIDSTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-16(18-19)15-8-12-6-7-13(9-14(12)21-15)20-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,17,18).
What are the key properties of N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide?
N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide has a molecular weight of 298.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-phenylmethoxy-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 24859715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).