2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide

C18H17NO5S — CID 11233687

IUPAC2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide
SMILESCC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5S/c1-2-3-13-24-15-9-11-16(12-10-15)25(22,23)17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20)
InChIKeyXWQYRXPGPDOWAJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.11
Rot. Bonds6

About 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide

2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide (PubChem CID 11233687) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide
PubChem CID11233687
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide
SMILESCC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C18H17NO5S/c1-2-3-13-24-15-9-11-16(12-10-15)25(22,23)17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20)
InChIKeyXWQYRXPGPDOWAJ-UHFFFAOYSA-N
XLogP2.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide 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-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide (CID 11233687) is 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide is CC#CCOc1ccc(S(=O)(=O)C(C(=O)NO)c2ccccc2)cc1.
What is the InChIKey of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide?
The InChIKey is XWQYRXPGPDOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-2-3-13-24-15-9-11-16(12-10-15)25(22,23)17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20).
What are the key properties of 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide?
2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide has a molecular weight of 359.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-ynoxyphenyl)sulfonyl-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 11233687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).