2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide

C26H46N2O4S — CID 54222909

IUPAC2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N(CCc1ccccc1)CC(=O)NO
InChIInChI=1S/C26H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33(31,32)28(24-26(29)27-30)22-21-25-19-16-15-17-20-25/h15-17,19-20,30H,2-14,18,21-24H2,1H3,(H,27,29)
InChIKeyQDVXVZJVCLGNMA-UHFFFAOYSA-N
MW482.73 g/mol
LogP5.85
Rot. Bonds21

About 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide

2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide (PubChem CID 54222909) has the molecular formula C26H46N2O4S and a molecular weight of 482.73 g/mol. Its IUPAC name is 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
PubChem CID54222909
Molecular FormulaC26H46N2O4S
Molecular Weight482.73 g/mol
Exact Mass482.32
IUPAC Name2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N(CCc1ccccc1)CC(=O)NO
InChIInChI=1S/C26H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33(31,32)28(24-26(29)27-30)22-21-25-19-16-15-17-20-25/h15-17,19-20,30H,2-14,18,21-24H2,1H3,(H,27,29)
InChIKeyQDVXVZJVCLGNMA-UHFFFAOYSA-N
XLogP5.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.73
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
CID 18325178
2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide
CID 18325433
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-butylacetamide
CID 126064929
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
2-[(3-butylphenyl)methylsulfonyl-methylamino]-N-hydroxyacetamide
CID 15118196
N-dodecyl-N-[2-(hydroxyamino)oxyethyl]-1-phenylmethanesulfonamide
CID 54016004
N,N-dioctyldodecane-1-sulfonamide
CID 15510197

Frequently Asked Questions

What is the IUPAC name of 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide (CID 54222909) is 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide is CCCCCCCCCCCCCCCCS(=O)(=O)N(CCc1ccccc1)CC(=O)NO.
What is the InChIKey of 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide?
The InChIKey is QDVXVZJVCLGNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-33(31,32)28(24-26(29)27-30)22-21-25-19-16-15-17-20-25/h15-17,19-20,30H,2-14,18,21-24H2,1H3,(H,27,29).
What are the key properties of 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide?
2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide has a molecular weight of 482.73 g/mol, XLogP of 5.85, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 54222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).