3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide

C17H14N2O4S — CID 164620112

IUPAC3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NO)cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C17H14N2O4S/c1-23-14-4-2-11(16(20)19-22)9-13(14)17(21)18-12-3-5-15-10(8-12)6-7-24-15/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeyYANSTCQTALFESK-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.28
Rot. Bonds4

About 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide

3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 164620112) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide
PubChem CID164620112
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)NO)cc1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C17H14N2O4S/c1-23-14-4-2-11(16(20)19-22)9-13(14)17(21)18-12-3-5-15-10(8-12)6-7-24-15/h2-9,22H,1H3,(H,18,21)(H,19,20)
InChIKeyYANSTCQTALFESK-UHFFFAOYSA-N
XLogP3.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.28
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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Related Compounds

N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
N-hydroxy-6-[[2-(3-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 11256805
N-hydroxy-6-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 58968983
Ethyl 5-amino-3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 118725930
N-(benzo[b]thiophen-5-yl)-4-oxo-4H-chromene-3-carboxamide
CID 4298204
N-(benzo[b]thiophen-5-yl)-2,5-dimethoxybenzamide
CID 16848754
5-fluoro-2-methoxy-N-(3-thiophen-3-ylphenyl)benzamide
CID 56401925
methyl 5-[[3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxybenzoyl]amino]-1-benzothiophene-2-carboxylate
CID 100475067
N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide
CID 103606523
5-[[2-(Difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid
CID 138997482
N-(1-benzothiophen-5-yl)-3-methoxynaphthalene-2-carboxamide
CID 3629615
N-(1-benzothiophen-5-yl)-2-phenoxybenzamide
CID 3632848

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide (CID 164620112) is 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)NO)cc1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is YANSTCQTALFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-23-14-4-2-11(16(20)19-22)9-13(14)17(21)18-12-3-5-15-10(8-12)6-7-24-15/h2-9,22H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide?
3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-benzothiophen-5-yl)-1-N-hydroxy-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 164620112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).