N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide

C21H30N2O4S — CID 18325178

IUPACN-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
SMILESCCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H30N2O4S/c1-2-3-4-5-6-9-14-28(26,27)23(17-21(24)22-25)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,25H,2-6,9,14,16-17H2,1H3,(H,22,24)
InChIKeyDKGQJJYMQYEUDM-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.84
Rot. Bonds12

About N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide

N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide (PubChem CID 18325178) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
PubChem CID18325178
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide
SMILESCCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccc2ccccc2c1
InChIInChI=1S/C21H30N2O4S/c1-2-3-4-5-6-9-14-28(26,27)23(17-21(24)22-25)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,25H,2-6,9,14,16-17H2,1H3,(H,22,24)
InChIKeyDKGQJJYMQYEUDM-UHFFFAOYSA-N
XLogP3.84
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.84
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

2-[hexadecylsulfonyl(2-phenylethyl)amino]-N-hydroxyacetamide
CID 54222909
2-[hexyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxyacetamide
CID 143926016
2-[(2-ethoxyphenyl)methyl-octylsulfonylamino]-N-hydroxyacetamide
CID 18325433
N-hydroxy-4-[methyl(naphthalen-2-ylmethyl)amino]butanamide
CID 58982133
4-[methyl(naphthalen-2-ylmethyl)amino]butane-1-sulfonic acid
CID 8599863
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333
2-[butyl(naphthalen-2-ylmethyl)amino]-N-(2-methylphenyl)acetamide
CID 156786205
ethane;2-hexylnaphthalene
CID 142191207
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
CID 139753327
N-hydroxy-2-[naphthalen-2-ylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 91027075
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-pentylacetamide
CID 126396038
N-hydroxy-2-[pentyl-(4-phenyldiazenylphenyl)sulfonylamino]acetamide
CID 142683259

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide?
The IUPAC name of N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide (CID 18325178) is N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide?
The canonical SMILES for N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide is CCCCCCCCS(=O)(=O)N(CC(=O)NO)Cc1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide?
The InChIKey is DKGQJJYMQYEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-2-3-4-5-6-9-14-28(26,27)23(17-21(24)22-25)16-18-12-13-19-10-7-8-11-20(19)15-18/h7-8,10-13,15,25H,2-6,9,14,16-17H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide?
N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide has a molecular weight of 406.55 g/mol, XLogP of 3.84, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[naphthalen-2-ylmethyl(octylsulfonyl)amino]acetamide is sourced from PubChem (CID 18325178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).