2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide

C13H18N2O4S — CID 142683254

IUPAC2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCC=CCN(CC(=O)NO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-4-9-15(10-13(16)14-17)20(18,19)12-7-5-11(2)6-8-12/h3-8,17H,9-10H2,1-2H3,(H,14,16)
InChIKeySJMWPXYPWXNPTF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.07
Rot. Bonds6

About 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide

2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide (PubChem CID 142683254) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
PubChem CID142683254
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
SMILESCC=CCN(CC(=O)NO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-4-9-15(10-13(16)14-17)20(18,19)12-7-5-11(2)6-8-12/h3-8,17H,9-10H2,1-2H3,(H,14,16)
InChIKeySJMWPXYPWXNPTF-UHFFFAOYSA-N
XLogP1.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]acetyl chloride
CID 102026013
N-(2-bromoprop-2-enyl)-N-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 163210393
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2284883
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012468
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
2-[(4-aminophenyl)sulfonyl-butylamino]-N-hydroxyacetamide
CID 141159834
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068

Frequently Asked Questions

What is the IUPAC name of 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide (CID 142683254) is 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide is CC=CCN(CC(=O)NO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
The InChIKey is SJMWPXYPWXNPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-4-9-15(10-13(16)14-17)20(18,19)12-7-5-11(2)6-8-12/h3-8,17H,9-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide?
2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide has a molecular weight of 298.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 142683254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).