2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide

C19H32N2O5S — CID 18325433

IUPAC2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide
SMILESCCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccccc1OCC
InChIInChI=1S/C19H32N2O5S/c1-3-5-6-7-8-11-14-27(24,25)21(16-19(22)20-23)15-17-12-9-10-13-18(17)26-4-2/h9-10,12-13,23H,3-8,11,14-16H2,1-2H3,(H,20,22)
InChIKeySZUBKECHPDTJKS-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.08
Rot. Bonds14

About 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide

2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide (PubChem CID 18325433) has the molecular formula C19H32N2O5S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide
PubChem CID18325433
Molecular FormulaC19H32N2O5S
Molecular Weight400.54 g/mol
Exact Mass400.20
IUPAC Name2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide
SMILESCCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccccc1OCC
InChIInChI=1S/C19H32N2O5S/c1-3-5-6-7-8-11-14-27(24,25)21(16-19(22)20-23)15-17-12-9-10-13-18(17)26-4-2/h9-10,12-13,23H,3-8,11,14-16H2,1-2H3,(H,20,22)
InChIKeySZUBKECHPDTJKS-UHFFFAOYSA-N
XLogP3.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-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

Related Compounds

N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
CID 18325178
2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
CID 54222909
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
1-decyl-2-ethoxybenzene
CID 175243335
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-(2-ethoxyphenyl)octanamide
CID 4158866
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 126204078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide (CID 18325433) is 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide is CCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccccc1OCC.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide?
The InChIKey is SZUBKECHPDTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5S/c1-3-5-6-7-8-11-14-27(24,25)21(16-19(22)20-23)15-17-12-9-10-13-18(17)26-4-2/h9-10,12-13,23H,3-8,11,14-16H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide?
2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide has a molecular weight of 400.54 g/mol, XLogP of 3.08, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 18325433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).