2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide

C12H18N2O5S — CID 15118197

IUPAC2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
SMILESCCOc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1
InChIInChI=1S/C12H18N2O5S/c1-3-19-11-6-4-5-10(7-11)9-20(17,18)14(2)8-12(15)13-16/h4-7,16H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyOKPSDXYTWNGKPC-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.35
Rot. Bonds7

About 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide

2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide (PubChem CID 15118197) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
PubChem CID15118197
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
SMILESCCOc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1
InChIInChI=1S/C12H18N2O5S/c1-3-19-11-6-4-5-10(7-11)9-20(17,18)14(2)8-12(15)13-16/h4-7,16H,3,8-9H2,1-2H3,(H,13,15)
InChIKeyOKPSDXYTWNGKPC-UHFFFAOYSA-N
XLogP0.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.35
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'}

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Related Compounds

ethyl 2-[(3-fluorophenyl)methylsulfonyl-methylamino]acetate
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2-(3-ethoxyphenyl)acetyl chloride
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N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
2-[(3-iodophenyl)methylsulfonyl-methylamino]acetate
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2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
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2-[(3-ethoxyphenyl)methyl-methylamino]-1-phenylethanone
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1-[3-[[6-(3-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]-N,N-dimethylmethanesulfonamide
CID 25133294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide (CID 15118197) is 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide is CCOc1cccc(CS(=O)(=O)N(C)CC(=O)NO)c1.
What is the InChIKey of 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
The InChIKey is OKPSDXYTWNGKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-19-11-6-4-5-10(7-11)9-20(17,18)14(2)8-12(15)13-16/h4-7,16H,3,8-9H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide?
2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide has a molecular weight of 302.35 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxyphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide is sourced from PubChem (CID 15118197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).