(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide

C17H18FNO2S — CID 8740652

IUPAC(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-3-21-15-8-6-14(7-9-15)19-17(20)12(2)22-16-10-4-13(18)5-11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeySPCYCRGFLDVOQU-GFCCVEGCSA-N
MW319.40 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide

(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 8740652) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID8740652
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-3-21-15-8-6-14(7-9-15)19-17(20)12(2)22-16-10-4-13(18)5-11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeySPCYCRGFLDVOQU-GFCCVEGCSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 19629898
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
N-[4-[1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 55835190
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935528
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
N-(4-ethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434101
(2S)-N-(4-ethoxyphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42121877
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
N-(4-ethoxyphenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]propanamide
CID 53291912
2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide (CID 8740652) is (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide is CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is SPCYCRGFLDVOQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-3-21-15-8-6-14(7-9-15)19-17(20)12(2)22-16-10-4-13(18)5-11-16/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 319.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).