2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

C14H19NO4S — CID 78956982

IUPAC2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1(C)COC1
InChIInChI=1S/C14H19NO4S/c1-3-20(17,18)12-7-5-4-6-11(12)13(16)15-8-14(2)9-19-10-14/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyXBSPKOYTQOYLCD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.25
Rot. Bonds5

About 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 78956982) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID78956982
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1(C)COC1
InChIInChI=1S/C14H19NO4S/c1-3-20(17,18)12-7-5-4-6-11(12)13(16)15-8-14(2)9-19-10-14/h4-7H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyXBSPKOYTQOYLCD-UHFFFAOYSA-N
XLogP1.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 79035684
N-(2-amino-2-methylpropyl)-2-ethylsulfonylbenzamide
CID 119629127
3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
2-ethylsulfonyl-N-(2-hydroxy-2-methylpentyl)benzamide
CID 103713016
(2S)-3-[(2-ethylsulfonylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107832831
2-ethylsulfonylbenzoyl chloride
CID 18978016
1-[(3-methyloxetan-3-yl)methyl]-3-(2-propylphenyl)urea
CID 72866555
2-ethylsulfonyl-N-(3-phenylprop-2-ynyl)benzamide
CID 24669076
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 78956982) is 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)NCC1(C)COC1.
What is the InChIKey of 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is XBSPKOYTQOYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-20(17,18)12-7-5-4-6-11(12)13(16)15-8-14(2)9-19-10-14/h4-7H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 297.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 78956982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).