[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate

C15H21NO7S — CID 35623092

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO7S/c1-15(2,3)23-13(17)10-22-14(18)11-7-6-8-12(9-11)24(19,20)16(4)21-5/h6-9H,10H2,1-5H3
InChIKeyQJOOHQYXIFOWID-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.37
Rot. Bonds6

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate (PubChem CID 35623092) has the molecular formula C15H21NO7S and a molecular weight of 359.40 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
PubChem CID35623092
Molecular FormulaC15H21NO7S
Molecular Weight359.40 g/mol
Exact Mass359.10
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H21NO7S/c1-15(2,3)23-13(17)10-22-14(18)11-7-6-8-12(9-11)24(19,20)16(4)21-5/h6-9H,10H2,1-5H3
InChIKeyQJOOHQYXIFOWID-UHFFFAOYSA-N
XLogP1.37
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-methylsulfonylbenzoate
CID 42209148
(4-fluorophenyl)methyl 3-[methoxy(methyl)sulfamoyl]benzoate
CID 18199634
(4-tert-butyl-2-methylphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 9171713
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 36698413
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 11930617
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
(4-phenylmethoxyphenyl) 3-[methoxy(methyl)sulfamoyl]benzoate
CID 71902045
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
CID 55969313
tert-butyl 3-methylsulfonylbenzoate
CID 59539564
tert-butyl 2-[(3-fluorophenyl)sulfonyl-methylamino]acetate
CID 4658727
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960646

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate (CID 35623092) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate is CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)OC(C)(C)C)c1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate?
The InChIKey is QJOOHQYXIFOWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO7S/c1-15(2,3)23-13(17)10-22-14(18)11-7-6-8-12(9-11)24(19,20)16(4)21-5/h6-9H,10H2,1-5H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate has a molecular weight of 359.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 35623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).