4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide

C16H14N2O2S — CID 121472945

IUPAC4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2csc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19)
InChIKeyKZHXHXSGSKVTLC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds4

About 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide

4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide (PubChem CID 121472945) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide
PubChem CID121472945
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(NCc2csc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19)
InChIKeyKZHXHXSGSKVTLC-UHFFFAOYSA-N
XLogP3.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.63
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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Related Compounds

SARS-CoV-2 PLpro Inhibitor, 59
CID 156907305
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-phenyl-1-benzothiophene-2-carboxamide
CID 237071
N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11233783
N-hydroxy-6-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11255848
N-hydroxy-5-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11267357
N-hydroxy-6-(3-phenylpropanamido)benzo[b]thiophene-2-carboxamide
CID 11359758
N-hydroxy-6-(naphthalene-2-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11428430
6-benzamido-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11449785
5-Benzoylamino-benzo[b]thiophene-2-carboxylic acid hydroxyamide
CID 11461110
N-hydroxy-6-(2-phenylbutanamido)benzo[b]thiophene-2-carboxamide
CID 11485016
6-(2-(4-fluorophenyl)acetamido)-N-hydroxybenzo[b]thiophene-2-carboxamide
CID 11772295

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide?
The IUPAC name of 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide (CID 121472945) is 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide is O=C(NO)c1ccc(NCc2csc3ccccc23)cc1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide?
The InChIKey is KZHXHXSGSKVTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(18-20)11-5-7-13(8-6-11)17-9-12-10-21-15-4-2-1-3-14(12)15/h1-8,10,17,20H,9H2,(H,18,19).
What are the key properties of 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide?
4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide has a molecular weight of 298.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethylamino)-N-hydroxybenzamide is sourced from PubChem (CID 121472945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).