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

C16H12N2O3S — CID 11461110

IUPAC5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2sc(C(=O)NO)cc2c1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-6-7-13-11(8-12)9-14(22-13)16(20)18-21/h1-9,21H,(H,17,19)(H,18,20)
InChIKeyYWKVUIZHAYBTCW-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.27
Rot. Bonds3

About 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide

5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11461110) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11461110
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc2sc(C(=O)NO)cc2c1)c1ccccc1
InChIInChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-6-7-13-11(8-12)9-14(22-13)16(20)18-21/h1-9,21H,(H,17,19)(H,18,20)
InChIKeyYWKVUIZHAYBTCW-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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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11461110) is 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(Nc1ccc2sc(C(=O)NO)cc2c1)c1ccccc1.
What is the InChIKey of 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is YWKVUIZHAYBTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-15(10-4-2-1-3-5-10)17-12-6-7-13-11(8-12)9-14(22-13)16(20)18-21/h1-9,21H,(H,17,19)(H,18,20).
What are the key properties of 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide?
5-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 5-benzamido-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11461110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).