N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide

C16H13N3O3S — CID 11186460

IUPACN-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccn1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C16H13N3O3S/c20-15(9-11-3-1-2-6-17-11)18-12-5-4-10-7-14(16(21)19-22)23-13(10)8-12/h1-8,22H,9H2,(H,18,20)(H,19,21)
InChIKeyZOWYTSVSTRVHMW-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.60
Rot. Bonds4

About N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 11186460) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID11186460
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccn1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C16H13N3O3S/c20-15(9-11-3-1-2-6-17-11)18-12-5-4-10-7-14(16(21)19-22)23-13(10)8-12/h1-8,22H,9H2,(H,18,20)(H,19,21)
InChIKeyZOWYTSVSTRVHMW-UHFFFAOYSA-N
XLogP2.60
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide (CID 11186460) is N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide is O=C(Cc1ccccn1)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is ZOWYTSVSTRVHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c20-15(9-11-3-1-2-6-17-11)18-12-5-4-10-7-14(16(21)19-22)23-13(10)8-12/h1-8,22H,9H2,(H,18,20)(H,19,21).
What are the key properties of N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[(2-pyridin-2-ylacetyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11186460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).