6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

C18H14N2O5S — CID 71712449

IUPAC6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H14N2O5S/c21-17(6-10-1-4-13-14(5-10)25-9-24-13)19-12-3-2-11-7-16(18(22)20-23)26-15(11)8-12/h1-5,7-8,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeySSUYADPOILUFQM-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.93
Rot. Bonds4

About 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 71712449) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID71712449
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C18H14N2O5S/c21-17(6-10-1-4-13-14(5-10)25-9-24-13)19-12-3-2-11-7-16(18(22)20-23)26-15(11)8-12/h1-5,7-8,23H,6,9H2,(H,19,21)(H,20,22)
InChIKeySSUYADPOILUFQM-UHFFFAOYSA-N
XLogP2.93
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-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-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 71712449) is 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is SSUYADPOILUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c21-17(6-10-1-4-13-14(5-10)25-9-24-13)19-12-3-2-11-7-16(18(22)20-23)26-15(11)8-12/h1-5,7-8,23H,6,9H2,(H,19,21)(H,20,22).
What are the key properties of 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 71712449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).