(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide

C17H18FNO4S — CID 42022358

IUPAC(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-3-24(21,22)16-10-6-14(7-11-16)19-17(20)12(2)23-15-8-4-13(18)5-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyRPOYELNRKNMCDP-LBPRGKRZSA-N
MW351.40 g/mol
LogP3.03
Rot. Bonds6

About (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide

(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 42022358) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID42022358
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-3-24(21,22)16-10-6-14(7-11-16)19-17(20)12(2)23-15-8-4-13(18)5-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyRPOYELNRKNMCDP-LBPRGKRZSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2936144
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(4-fluorophenoxy)propanoate
CID 42902776
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide (CID 42022358) is (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide is CCS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is RPOYELNRKNMCDP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-3-24(21,22)16-10-6-14(7-11-16)19-17(20)12(2)23-15-8-4-13(18)5-9-15/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide?
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 351.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 42022358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).