N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide

C18H16N2O3S — CID 11359758

IUPACN-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-8-7-13-10-16(18(22)20-23)24-15(13)11-14/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeyOWYSRKYWXYUTDO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.59
Rot. Bonds5

About N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide

N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide (PubChem CID 11359758) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
PubChem CID11359758
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide
SMILESO=C(CCc1ccccc1)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-8-7-13-10-16(18(22)20-23)24-15(13)11-14/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeyOWYSRKYWXYUTDO-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'}

Analyze N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 2928882
3-Chloro-N-(4-methylphenyl)-1-benzothiophene-2-carboxamide
CID 606829
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 939900
N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1215015
N-{4-[(2-phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 3162290
N-phenyl-1-benzothiophene-2-carboxamide
CID 237071
(Z)-N-(4-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)phenyl)acetamide
CID 786578
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-hydroxy-5-(naphthalene-1-carbonylamino)-1-benzothiophene-2-carboxamide
CID 11233783
N-hydroxy-6-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11255848
N-hydroxy-5-(2-phenylacetamido)benzo[b]thiophene-2-carboxamide
CID 11267357
6-(benzylsulfonylamino)-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11302939

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide (CID 11359758) is N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide is O=C(CCc1ccccc1)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
The InChIKey is OWYSRKYWXYUTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(9-6-12-4-2-1-3-5-12)19-14-8-7-13-10-16(18(22)20-23)24-15(13)11-14/h1-5,7-8,10-11,23H,6,9H2,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide?
N-hydroxy-6-(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-6-(3-phenylpropanoylamino)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11359758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).