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

C16H12N2O3S — CID 11449785

IUPAC6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-7-6-11-8-14(16(20)18-21)22-13(11)9-12/h1-9,21H,(H,17,19)(H,18,20)
InChIKeyQJLWKNGLLBHDQP-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.27
Rot. Bonds3

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

6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11449785) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11449785
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-7-6-11-8-14(16(20)18-21)22-13(11)9-12/h1-9,21H,(H,17,19)(H,18,20)
InChIKeyQJLWKNGLLBHDQP-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.27
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

N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 2928882
3-Chloro-N-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 606829
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 939900
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
N-(1-benzothiophen-5-yl)-2-methylsulfonylbenzamide
CID 7267028
N-phenyl-1-benzothiophene-2-carboxamide
CID 237071
3-chloro-N-(4-cyanophenyl)-1-benzothiophene-2-carboxamide
CID 735385
(Z)-N-(4-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl)acetamide
CID 786578
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11233783
N-hydroxy-6-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11255848

Frequently Asked Questions

What is the IUPAC name of 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11449785) is 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(Nc1ccc2cc(C(=O)NO)sc2c1)c1ccccc1.
What is the InChIKey of 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is QJLWKNGLLBHDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-7-6-11-8-14(16(20)18-21)22-13(11)9-12/h1-9,21H,(H,17,19)(H,18,20).
What are the key properties of 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11449785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).