N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide

C18H16N2O3S — CID 11371215

IUPACN-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-7-8-15-13(10-14)11-16(24-15)18(22)20-23/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeyFETQWERSGOIMGD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.59
Rot. Bonds5

About N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11371215) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
PubChem CID11371215
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-7-8-15-13(10-14)11-16(24-15)18(22)20-23/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeyFETQWERSGOIMGD-UHFFFAOYSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.59
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-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide (CID 11371215) is N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide is O=C(CCc1ccccc1)Nc1ccc2sc(C(=O)NO)cc2c1.
What is the InChIKey of N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is FETQWERSGOIMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-7-8-15-13(10-14)11-16(24-15)18(22)20-23/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11371215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).