(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide

C13H18FNO4S — CID 94024950

IUPAC(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1F
InChIInChI=1S/C13H18FNO4S/c1-8(15-13(16)9(2)20(4,17)18)10-5-6-12(19-3)11(14)7-10/h5-9H,1-4H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyXLARYDJEYBSXFS-RKDXNWHRSA-N
MW303.36 g/mol
LogP1.44
Rot. Bonds5

About (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide

(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide (PubChem CID 94024950) has the molecular formula C13H18FNO4S and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
PubChem CID94024950
Molecular FormulaC13H18FNO4S
Molecular Weight303.36 g/mol
Exact Mass303.09
IUPAC Name(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1F
InChIInChI=1S/C13H18FNO4S/c1-8(15-13(16)9(2)20(4,17)18)10-5-6-12(19-3)11(14)7-10/h5-9H,1-4H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyXLARYDJEYBSXFS-RKDXNWHRSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119692503
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892876
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide (CID 94024950) is (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide is COc1ccc([C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)cc1F.
What is the InChIKey of (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
The InChIKey is XLARYDJEYBSXFS-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18FNO4S/c1-8(15-13(16)9(2)20(4,17)18)10-5-6-12(19-3)11(14)7-10/h5-9H,1-4H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide?
(2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide has a molecular weight of 303.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 94024950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).