N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide

C15H12N2O3S2 — CID 71712448

IUPACN-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H12N2O3S2/c18-14(5-9-3-4-21-8-9)16-11-2-1-10-6-13(15(19)17-20)22-12(10)7-11/h1-4,6-8,20H,5H2,(H,16,18)(H,17,19)
InChIKeyUQNHQDOHYCTRLY-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.26
Rot. Bonds4

About N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide

N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 71712448) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID71712448
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC NameN-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C15H12N2O3S2/c18-14(5-9-3-4-21-8-9)16-11-2-1-10-6-13(15(19)17-20)22-12(10)7-11/h1-4,6-8,20H,5H2,(H,16,18)(H,17,19)
InChIKeyUQNHQDOHYCTRLY-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.26
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-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide (CID 71712448) is N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide is O=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is UQNHQDOHYCTRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c18-14(5-9-3-4-21-8-9)16-11-2-1-10-6-13(15(19)17-20)22-12(10)7-11/h1-4,6-8,20H,5H2,(H,16,18)(H,17,19).
What are the key properties of N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-6-[(2-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.26, 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-thiophen-3-ylacetyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71712448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).