N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide

C17H27FN2O6S — CID 172822196

IUPACN-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide
SMILESCc1cccc(C)c1NC(=O)C(O)S(=O)(=O)N(CC(C)F)OCOC(C)C
InChIInChI=1S/C17H27FN2O6S/c1-11(2)25-10-26-20(9-14(5)18)27(23,24)17(22)16(21)19-15-12(3)7-6-8-13(15)4/h6-8,11,14,17,22H,9-10H2,1-5H3,(H,19,21)
InChIKeyUJKVSADDPXREHP-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.86
Rot. Bonds10

About N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide

N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide (PubChem CID 172822196) has the molecular formula C17H27FN2O6S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide
PubChem CID172822196
Molecular FormulaC17H27FN2O6S
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide
SMILESCc1cccc(C)c1NC(=O)C(O)S(=O)(=O)N(CC(C)F)OCOC(C)C
InChIInChI=1S/C17H27FN2O6S/c1-11(2)25-10-26-20(9-14(5)18)27(23,24)17(22)16(21)19-15-12(3)7-6-8-13(15)4/h6-8,11,14,17,22H,9-10H2,1-5H3,(H,19,21)
InChIKeyUJKVSADDPXREHP-UHFFFAOYSA-N
XLogP1.86
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.86
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

2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
CID 150761252
N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide
CID 150437938
2-[ethoxymethoxy(methyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)-2-hydroxyacetamide
CID 151706600
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 67892291
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 9307958
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate
CID 55423114
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8577775
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide (CID 172822196) is N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide is Cc1cccc(C)c1NC(=O)C(O)S(=O)(=O)N(CC(C)F)OCOC(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide?
The InChIKey is UJKVSADDPXREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O6S/c1-11(2)25-10-26-20(9-14(5)18)27(23,24)17(22)16(21)19-15-12(3)7-6-8-13(15)4/h6-8,11,14,17,22H,9-10H2,1-5H3,(H,19,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide?
N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide has a molecular weight of 406.48 g/mol, XLogP of 1.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide is sourced from PubChem (CID 172822196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).