N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide

C9H8NO2PS — CID 143667764

IUPACN-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(P)cc2s1
InChIInChI=1S/C9H8NO2PS/c11-9(10-12)8-3-5-1-2-6(13)4-7(5)14-8/h1-4,12H,13H2,(H,10,11)
InChIKeyULCMCWZQVGPSRJ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.52
Rot. Bonds1

About N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide

N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide (PubChem CID 143667764) has the molecular formula C9H8NO2PS and a molecular weight of 225.21 g/mol. Its IUPAC name is N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
PubChem CID143667764
Molecular FormulaC9H8NO2PS
Molecular Weight225.21 g/mol
Exact Mass225.00
IUPAC NameN-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(P)cc2s1
InChIInChI=1S/C9H8NO2PS/c11-9(10-12)8-3-5-1-2-6(13)4-7(5)14-8/h1-4,12H,13H2,(H,10,11)
InChIKeyULCMCWZQVGPSRJ-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-6-[1-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 15604754
N-hydroxy-6-[2-(2-methylpropylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 87770140
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11326364
6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
CID 58968905
6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11269595
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
6-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 87619661
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide (CID 143667764) is N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(P)cc2s1.
What is the InChIKey of N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide?
The InChIKey is ULCMCWZQVGPSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO2PS/c11-9(10-12)8-3-5-1-2-6(13)4-7(5)14-8/h1-4,12H,13H2,(H,10,11).
What are the key properties of N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide?
N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-phosphanyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 143667764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).