2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide

C18H20N2O4S2 — CID 53328858

IUPAC2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide
SMILESCCCCc1ccc(C#Cc2ccc(S(=O)(=O)NCC(=O)NO)s2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
InChIKeyYZKJTNXYLZWHHJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.27
Rot. Bonds7

About 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide

2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide (PubChem CID 53328858) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide
PubChem CID53328858
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide
SMILESCCCCc1ccc(C#Cc2ccc(S(=O)(=O)NCC(=O)NO)s2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
InChIKeyYZKJTNXYLZWHHJ-UHFFFAOYSA-N
XLogP2.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.27
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide 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 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide (CID 53328858) is 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide is CCCCc1ccc(C#Cc2ccc(S(=O)(=O)NCC(=O)NO)s2)cc1.
What is the InChIKey of 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide?
The InChIKey is YZKJTNXYLZWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21).
What are the key properties of 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide?
2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide has a molecular weight of 392.50 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 53328858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).