3-(3-methylsulfonylphenoxy)propanamide

C10H13NO4S — CID 55149798

IUPAC3-(3-methylsulfonylphenoxy)propanamide
SMILESCS(=O)(=O)c1cccc(OCCC(N)=O)c1
InChIInChI=1S/C10H13NO4S/c1-16(13,14)9-4-2-3-8(7-9)15-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyZTMHFTQHUFDQPC-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.34
Rot. Bonds5

About 3-(3-methylsulfonylphenoxy)propanamide

3-(3-methylsulfonylphenoxy)propanamide (PubChem CID 55149798) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(3-methylsulfonylphenoxy)propanamide.

Molecular Properties

Compound Name3-(3-methylsulfonylphenoxy)propanamide
PubChem CID55149798
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(3-methylsulfonylphenoxy)propanamide
SMILESCS(=O)(=O)c1cccc(OCCC(N)=O)c1
InChIInChI=1S/C10H13NO4S/c1-16(13,14)9-4-2-3-8(7-9)15-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H2,11,12)
InChIKeyZTMHFTQHUFDQPC-UHFFFAOYSA-N
XLogP0.34
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
[2-hydroxy-3-(3-methylsulfonylphenoxy)propyl] carbamate
CID 175231524
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
3-(3-chlorophenoxy)propanamide
CID 23512799
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
(2S)-2-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306134
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
4-(3-methylsulfonylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43807175
2-amino-2-ethyl-5-(3-methylsulfonylphenoxy)pentanoic acid
CID 106807028
2-methyl-3-(3-methylsulfonylphenoxy)propanethioamide
CID 43807014

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfonylphenoxy)propanamide?
The IUPAC name of 3-(3-methylsulfonylphenoxy)propanamide (CID 55149798) is 3-(3-methylsulfonylphenoxy)propanamide.
What is the SMILES notation for 3-(3-methylsulfonylphenoxy)propanamide?
The canonical SMILES for 3-(3-methylsulfonylphenoxy)propanamide is CS(=O)(=O)c1cccc(OCCC(N)=O)c1.
What is the InChIKey of 3-(3-methylsulfonylphenoxy)propanamide?
The InChIKey is ZTMHFTQHUFDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-16(13,14)9-4-2-3-8(7-9)15-6-5-10(11)12/h2-4,7H,5-6H2,1H3,(H2,11,12).
What are the key properties of 3-(3-methylsulfonylphenoxy)propanamide?
3-(3-methylsulfonylphenoxy)propanamide has a molecular weight of 243.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfonylphenoxy)propanamide is sourced from PubChem (CID 55149798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).