2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide

C19H32N2O6S — CID 150761252

IUPAC2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
SMILESCCCCN(OCOC(C)CC)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H32N2O6S/c1-6-8-12-21(27-13-26-16(5)7-2)28(24,25)19(23)18(22)20-17-14(3)10-9-11-15(17)4/h9-11,16,19,23H,6-8,12-13H2,1-5H3,(H,20,22)
InChIKeyJXWMNIDJHRKMCH-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.70
Rot. Bonds12

About 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide

2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide (PubChem CID 150761252) has the molecular formula C19H32N2O6S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide.

Molecular Properties

Compound Name2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
PubChem CID150761252
Molecular FormulaC19H32N2O6S
Molecular Weight416.54 g/mol
Exact Mass416.20
IUPAC Name2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
SMILESCCCCN(OCOC(C)CC)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H32N2O6S/c1-6-8-12-21(27-13-26-16(5)7-2)28(24,25)19(23)18(22)20-17-14(3)10-9-11-15(17)4/h9-11,16,19,23H,6-8,12-13H2,1-5H3,(H,20,22)
InChIKeyJXWMNIDJHRKMCH-UHFFFAOYSA-N
XLogP2.70
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide
CID 172822196
N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide
CID 150437938
2-[butyl(ethyl)amino]-N-(2,6-dimethylphenyl)butanamide;ethane
CID 145255020
2-[ethoxymethoxy(methyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)-2-hydroxyacetamide
CID 151706600
N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;methanesulfonic acid
CID 75989741
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765
N-[2-(butan-2-yloxymethyl)-6-methylphenyl]-2-chloroacetamide
CID 67820696
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659297

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide?
The IUPAC name of 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide (CID 150761252) is 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide.
What is the SMILES notation for 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide?
The canonical SMILES for 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide is CCCCN(OCOC(C)CC)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide?
The InChIKey is JXWMNIDJHRKMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O6S/c1-6-8-12-21(27-13-26-16(5)7-2)28(24,25)19(23)18(22)20-17-14(3)10-9-11-15(17)4/h9-11,16,19,23H,6-8,12-13H2,1-5H3,(H,20,22).
What are the key properties of 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide?
2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide has a molecular weight of 416.54 g/mol, XLogP of 2.70, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide is sourced from PubChem (CID 150761252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).