7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide

C18H15FN2O4S — CID 118728444

IUPAC7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)cc1
InChIInChI=1S/C18H15FN2O4S/c1-25-13-6-4-10(5-7-13)17(22)20-9-12-3-2-11-8-14(18(23)21-24)26-16(11)15(12)19/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZTKJLKLPAMFUAP-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.10
Rot. Bonds5

About 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide

7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 118728444) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide
PubChem CID118728444
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)cc1
InChIInChI=1S/C18H15FN2O4S/c1-25-13-6-4-10(5-7-13)17(22)20-9-12-3-2-11-8-14(18(23)21-24)26-16(11)15(12)19/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyZTKJLKLPAMFUAP-UHFFFAOYSA-N
XLogP3.10
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.10
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'}

Analyze 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide (CID 118728444) is 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide is COc1ccc(C(=O)NCc2ccc3cc(C(=O)NO)sc3c2F)cc1.
What is the InChIKey of 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZTKJLKLPAMFUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c1-25-13-6-4-10(5-7-13)17(22)20-9-12-3-2-11-8-14(18(23)21-24)26-16(11)15(12)19/h2-8,24H,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide?
7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-hydroxy-6-[[(4-methoxybenzoyl)amino]methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118728444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).