N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide

C15H12N2O3S — CID 129283400

IUPACN-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide
SMILESCOc1ncccc1-c1cc2cc(C(=O)NO)ccc2s1
InChIInChI=1S/C15H12N2O3S/c1-20-15-11(3-2-6-16-15)13-8-10-7-9(14(18)17-19)4-5-12(10)21-13/h2-8,19H,1H3,(H,17,18)
InChIKeyWZANXMBVMOCCKP-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.09
Rot. Bonds3

About N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide

N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide (PubChem CID 129283400) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide
PubChem CID129283400
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC NameN-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide
SMILESCOc1ncccc1-c1cc2cc(C(=O)NO)ccc2s1
InChIInChI=1S/C15H12N2O3S/c1-20-15-11(3-2-6-16-15)13-8-10-7-9(14(18)17-19)4-5-12(10)21-13/h2-8,19H,1H3,(H,17,18)
InChIKeyWZANXMBVMOCCKP-UHFFFAOYSA-N
XLogP3.09
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide?
The IUPAC name of N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide (CID 129283400) is N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide is COc1ncccc1-c1cc2cc(C(=O)NO)ccc2s1.
What is the InChIKey of N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide?
The InChIKey is WZANXMBVMOCCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-15-11(3-2-6-16-15)13-8-10-7-9(14(18)17-19)4-5-12(10)21-13/h2-8,19H,1H3,(H,17,18).
What are the key properties of N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide?
N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2-methoxy-3-pyridinyl)-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 129283400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).