N-hydroxy-8-oxo-8-thiophen-2-yloctanamide

C12H17NO3S — CID 11118652

IUPACN-hydroxy-8-oxo-8-thiophen-2-yloctanamide
SMILESO=C(CCCCCCC(=O)c1cccs1)NO
InChIInChI=1S/C12H17NO3S/c14-10(11-7-5-9-17-11)6-3-1-2-4-8-12(15)13-16/h5,7,9,16H,1-4,6,8H2,(H,13,15)
InChIKeyWTWKELDRHDSOQI-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.78
Rot. Bonds8

About N-hydroxy-8-oxo-8-thiophen-2-yloctanamide

N-hydroxy-8-oxo-8-thiophen-2-yloctanamide (PubChem CID 11118652) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-hydroxy-8-oxo-8-thiophen-2-yloctanamide.

Molecular Properties

Compound NameN-hydroxy-8-oxo-8-thiophen-2-yloctanamide
PubChem CID11118652
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-hydroxy-8-oxo-8-thiophen-2-yloctanamide
SMILESO=C(CCCCCCC(=O)c1cccs1)NO
InChIInChI=1S/C12H17NO3S/c14-10(11-7-5-9-17-11)6-3-1-2-4-8-12(15)13-16/h5,7,9,16H,1-4,6,8H2,(H,13,15)
InChIKeyWTWKELDRHDSOQI-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-8-oxo-8-thiophen-2-yloctanamide 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 N-hydroxy-8-oxo-8-thiophen-2-yloctanamide?
The IUPAC name of N-hydroxy-8-oxo-8-thiophen-2-yloctanamide (CID 11118652) is N-hydroxy-8-oxo-8-thiophen-2-yloctanamide.
What is the SMILES notation for N-hydroxy-8-oxo-8-thiophen-2-yloctanamide?
The canonical SMILES for N-hydroxy-8-oxo-8-thiophen-2-yloctanamide is O=C(CCCCCCC(=O)c1cccs1)NO.
What is the InChIKey of N-hydroxy-8-oxo-8-thiophen-2-yloctanamide?
The InChIKey is WTWKELDRHDSOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-10(11-7-5-9-17-11)6-3-1-2-4-8-12(15)13-16/h5,7,9,16H,1-4,6,8H2,(H,13,15).
What are the key properties of N-hydroxy-8-oxo-8-thiophen-2-yloctanamide?
N-hydroxy-8-oxo-8-thiophen-2-yloctanamide has a molecular weight of 255.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-oxo-8-thiophen-2-yloctanamide is sourced from PubChem (CID 11118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).