N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide

C17H14N2O3S — CID 11267357

IUPACN-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-6-7-14-12(9-13)10-15(23-14)17(21)19-22/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21)
InChIKeyRDENZOCZCDMMTB-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.20
Rot. Bonds4

About N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide

N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide (PubChem CID 11267357) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide
PubChem CID11267357
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-6-7-14-12(9-13)10-15(23-14)17(21)19-22/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21)
InChIKeyRDENZOCZCDMMTB-UHFFFAOYSA-N
XLogP3.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.20
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 N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide (CID 11267357) is N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide is O=C(Cc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1.
What is the InChIKey of N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide?
The InChIKey is RDENZOCZCDMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-6-7-14-12(9-13)10-15(23-14)17(21)19-22/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21).
What are the key properties of N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide?
N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11267357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).