2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide

C12H16FNO4S — CID 155340732

IUPAC2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C12H16FNO4S/c1-3-4-14-12(15)8-18-10-5-9(13)6-11(7-10)19(2,16)17/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyBZWSXEONJMNNRO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.13
Rot. Bonds6

About 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide

2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide (PubChem CID 155340732) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide
PubChem CID155340732
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C12H16FNO4S/c1-3-4-14-12(15)8-18-10-5-9(13)6-11(7-10)19(2,16)17/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyBZWSXEONJMNNRO-UHFFFAOYSA-N
XLogP1.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]carbamate
CID 70980523
N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
CID 110488128
2-[(6-fluoro-3-pyridinyl)oxy]-N-propylacetamide
CID 115371607
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-propylacetamide
CID 30128294
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
(3-fluoro-5-methylsulfonylphenyl) trifluoromethanesulfonate
CID 174416516
(Z)-2-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]but-2-enedioic acid
CID 175463139
2-(3-iodophenoxy)-N-propylacetamide
CID 60626728
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(2,4-difluoro-5-methylphenoxy)-N-propylacetamide
CID 142440430
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide?
The IUPAC name of 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide (CID 155340732) is 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide?
The canonical SMILES for 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide is CCCNC(=O)COc1cc(F)cc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide?
The InChIKey is BZWSXEONJMNNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-3-4-14-12(15)8-18-10-5-9(13)6-11(7-10)19(2,16)17/h5-7H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide?
2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide has a molecular weight of 289.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylsulfonylphenoxy)-N-propylacetamide is sourced from PubChem (CID 155340732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).