2-(tert-butylsulfinylmethoxy)benzamide

C12H17NO3S — CID 174849594

IUPAC2-(tert-butylsulfinylmethoxy)benzamide
SMILESCC(C)(C)S(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C12H17NO3S/c1-12(2,3)17(15)8-16-10-7-5-4-6-9(10)11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyZLBUMAQTUAWARE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.67
Rot. Bonds4

About 2-(tert-butylsulfinylmethoxy)benzamide

2-(tert-butylsulfinylmethoxy)benzamide (PubChem CID 174849594) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(tert-butylsulfinylmethoxy)benzamide.

Molecular Properties

Compound Name2-(tert-butylsulfinylmethoxy)benzamide
PubChem CID174849594
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(tert-butylsulfinylmethoxy)benzamide
SMILESCC(C)(C)S(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C12H17NO3S/c1-12(2,3)17(15)8-16-10-7-5-4-6-9(10)11(13)14/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyZLBUMAQTUAWARE-UHFFFAOYSA-N
XLogP1.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-[3-(tert-butylamino)propoxy]benzamide
CID 103074303
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(methylsulfonylmethoxy)benzamide
CID 118665617
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-[2-(4-tert-butylphenyl)-2-oxoethoxy]benzamide
CID 78789436
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-(2-oxoethoxy)benzamide
CID 21273663
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
2-but-2-ynoxybenzamide
CID 177469094

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfinylmethoxy)benzamide?
The IUPAC name of 2-(tert-butylsulfinylmethoxy)benzamide (CID 174849594) is 2-(tert-butylsulfinylmethoxy)benzamide.
What is the SMILES notation for 2-(tert-butylsulfinylmethoxy)benzamide?
The canonical SMILES for 2-(tert-butylsulfinylmethoxy)benzamide is CC(C)(C)S(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-(tert-butylsulfinylmethoxy)benzamide?
The InChIKey is ZLBUMAQTUAWARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-12(2,3)17(15)8-16-10-7-5-4-6-9(10)11(13)14/h4-7H,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-(tert-butylsulfinylmethoxy)benzamide?
2-(tert-butylsulfinylmethoxy)benzamide has a molecular weight of 255.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfinylmethoxy)benzamide is sourced from PubChem (CID 174849594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).