N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide

C20H14N2O3S — CID 11428430

IUPACN-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O3S/c23-19(15-6-5-12-3-1-2-4-13(12)9-15)21-16-8-7-14-10-18(20(24)22-25)26-17(14)11-16/h1-11,25H,(H,21,23)(H,22,24)
InChIKeyPCQHVKPOXPTMOB-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.43
Rot. Bonds3

About N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11428430) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide
PubChem CID11428430
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14N2O3S/c23-19(15-6-5-12-3-1-2-4-13(12)9-15)21-16-8-7-14-10-18(20(24)22-25)26-17(14)11-16/h1-11,25H,(H,21,23)(H,22,24)
InChIKeyPCQHVKPOXPTMOB-UHFFFAOYSA-N
XLogP4.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide (CID 11428430) is N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is PCQHVKPOXPTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-19(15-6-5-12-3-1-2-4-13(12)9-15)21-16-8-7-14-10-18(20(24)22-25)26-17(14)11-16/h1-11,25H,(H,21,23)(H,22,24).
What are the key properties of N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11428430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).