(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide

C17H18ClNO2S — CID 92675918

IUPAC(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-3-22-16-11-7-5-9-14(16)19-17(20)12(2)21-15-10-6-4-8-13(15)18/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyRWWFQLXEZBFNBK-LBPRGKRZSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide

(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 92675918) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID92675918
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl
InChIInChI=1S/C17H18ClNO2S/c1-3-22-16-11-7-5-9-14(16)19-17(20)12(2)21-15-10-6-4-8-13(15)18/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyRWWFQLXEZBFNBK-LBPRGKRZSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 55583461
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide (CID 92675918) is (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is RWWFQLXEZBFNBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-3-22-16-11-7-5-9-14(16)19-17(20)12(2)21-15-10-6-4-8-13(15)18/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 335.86 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 92675918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).