N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide

C20H14N2O3S — CID 11233783

IUPACN-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(NC(=O)c3cccc4ccccc34)ccc2s1
InChIInChI=1S/C20H14N2O3S/c23-19(16-7-3-5-12-4-1-2-6-15(12)16)21-14-8-9-17-13(10-14)11-18(26-17)20(24)22-25/h1-11,25H,(H,21,23)(H,22,24)
InChIKeyFSBZYLBTSUIPTL-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.43
Rot. Bonds3

About N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11233783) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
PubChem CID11233783
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC NameN-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2cc(NC(=O)c3cccc4ccccc34)ccc2s1
InChIInChI=1S/C20H14N2O3S/c23-19(16-7-3-5-12-4-1-2-6-15(12)16)21-14-8-9-17-13(10-14)11-18(26-17)20(24)22-25/h1-11,25H,(H,21,23)(H,22,24)
InChIKeyFSBZYLBTSUIPTL-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-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide (CID 11233783) is N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2cc(NC(=O)c3cccc4ccccc34)ccc2s1.
What is the InChIKey of N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is FSBZYLBTSUIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-19(16-7-3-5-12-4-1-2-6-15(12)16)21-14-8-9-17-13(10-14)11-18(26-17)20(24)22-25/h1-11,25H,(H,21,23)(H,22,24).
What are the key properties of N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-5-(naphthalene-1-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-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11233783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).