N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide

C17H24N2O6S — CID 150437938

IUPACN-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide
SMILESC#CCOCON(C(C)C)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H24N2O6S/c1-6-10-24-11-25-19(12(2)3)26(22,23)17(21)16(20)18-15-13(4)8-7-9-14(15)5/h1,7-9,12,17,21H,10-11H2,2-5H3,(H,18,20)
InChIKeyHLDWGAPMCPLMRW-UHFFFAOYSA-N
MW384.45 g/mol
LogP1.14
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide

N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide (PubChem CID 150437938) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide
PubChem CID150437938
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC NameN-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide
SMILESC#CCOCON(C(C)C)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C17H24N2O6S/c1-6-10-24-11-25-19(12(2)3)26(22,23)17(21)16(20)18-15-13(4)8-7-9-14(15)5/h1,7-9,12,17,21H,10-11H2,2-5H3,(H,18,20)
InChIKeyHLDWGAPMCPLMRW-UHFFFAOYSA-N
XLogP1.14
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxymethoxy(methyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)-2-hydroxyacetamide
CID 151706600
N-(2,6-dimethylphenyl)-2-[2-fluoropropyl(propan-2-yloxymethoxy)sulfamoyl]-2-hydroxyacetamide
CID 172822196
2-[butan-2-yloxymethoxy(butyl)sulfamoyl]-N-(2,6-dimethylphenyl)-2-hydroxyacetamide
CID 150761252
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
[(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-[ethyl(propyl)amino]butanamide;methanesulfonic acid
CID 75989741
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
CID 67892291
2-(diethylamino)-N-(2,6-dimethylphenyl)pentanamide
CID 3048765

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide (CID 150437938) is N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide is C#CCOCON(C(C)C)S(=O)(=O)C(O)C(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide?
The InChIKey is HLDWGAPMCPLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-6-10-24-11-25-19(12(2)3)26(22,23)17(21)16(20)18-15-13(4)8-7-9-14(15)5/h1,7-9,12,17,21H,10-11H2,2-5H3,(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide?
N-(2,6-dimethylphenyl)-2-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide has a molecular weight of 384.45 g/mol, XLogP of 1.14, 9 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-hydroxy-2-[propan-2-yl(prop-2-ynoxymethoxy)sulfamoyl]acetamide is sourced from PubChem (CID 150437938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).