N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide

C14H12N4O3S — CID 71712447

IUPACN-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ncc[nH]1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C14H12N4O3S/c19-13(7-12-15-3-4-16-12)17-9-2-1-8-5-11(14(20)18-21)22-10(8)6-9/h1-6,21H,7H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyBHJXYEREDHNZOR-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.92
Rot. Bonds4

About N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide (PubChem CID 71712447) has the molecular formula C14H12N4O3S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide
PubChem CID71712447
Molecular FormulaC14H12N4O3S
Molecular Weight316.34 g/mol
Exact Mass316.06
IUPAC NameN-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ncc[nH]1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C14H12N4O3S/c19-13(7-12-15-3-4-16-12)17-9-2-1-8-5-11(14(20)18-21)22-10(8)6-9/h1-6,21H,7H2,(H,15,16)(H,17,19)(H,18,20)
InChIKeyBHJXYEREDHNZOR-UHFFFAOYSA-N
XLogP1.92
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.92
H-Bond Donors ≤ 54
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-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide (CID 71712447) is N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide is O=C(Cc1ncc[nH]1)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide?
The InChIKey is BHJXYEREDHNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S/c19-13(7-12-15-3-4-16-12)17-9-2-1-8-5-11(14(20)18-21)22-10(8)6-9/h1-6,21H,7H2,(H,15,16)(H,17,19)(H,18,20).
What are the key properties of N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[2-(1H-imidazol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71712447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).