6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide

C19H20N2O3S — CID 71712597

IUPAC6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(CN(CCO)Cc3ccccc3)cc2s1
InChIInChI=1S/C19H20N2O3S/c22-9-8-21(12-14-4-2-1-3-5-14)13-15-6-7-16-11-18(19(23)20-24)25-17(16)10-15/h1-7,10-11,22,24H,8-9,12-13H2,(H,20,23)
InChIKeyRRXRHOISYDGXCV-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.01
Rot. Bonds7

About 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide

6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 71712597) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID71712597
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(CN(CCO)Cc3ccccc3)cc2s1
InChIInChI=1S/C19H20N2O3S/c22-9-8-21(12-14-4-2-1-3-5-14)13-15-6-7-16-11-18(19(23)20-24)25-17(16)10-15/h1-7,10-11,22,24H,8-9,12-13H2,(H,20,23)
InChIKeyRRXRHOISYDGXCV-UHFFFAOYSA-N
XLogP3.01
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.01
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 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-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 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 71712597) is 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(CN(CCO)Cc3ccccc3)cc2s1.
What is the InChIKey of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is RRXRHOISYDGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-9-8-21(12-14-4-2-1-3-5-14)13-15-6-7-16-11-18(19(23)20-24)25-17(16)10-15/h1-7,10-11,22,24H,8-9,12-13H2,(H,20,23).
What are the key properties of 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(2-hydroxyethyl)amino]methyl]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71712597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).