6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide

C16H14N2O2S — CID 23661705

IUPAC6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c19-16(18-20)15-8-12-6-7-13(9-14(12)21-15)17-10-11-4-2-1-3-5-11/h1-9,17,20H,10H2,(H,18,19)
InChIKeyPXAZSFUSHCSCKL-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds4

About 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide

6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 23661705) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID23661705
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NCc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S/c19-16(18-20)15-8-12-6-7-13(9-14(12)21-15)17-10-11-4-2-1-3-5-11/h1-9,17,20H,10H2,(H,18,19)
InChIKeyPXAZSFUSHCSCKL-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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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide (CID 23661705) is 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(NCc3ccccc3)cc2s1.
What is the InChIKey of 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is PXAZSFUSHCSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(18-20)15-8-12-6-7-13(9-14(12)21-15)17-10-11-4-2-1-3-5-11/h1-9,17,20H,10H2,(H,18,19).
What are the key properties of 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide?
6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide 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 6-(benzylamino)-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 23661705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).