(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide

C18H20ClNO2S — CID 92682680

IUPAC(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2S/c1-3-16(22-14-9-7-8-13(19)12-14)18(21)20-15-10-5-6-11-17(15)23-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyVQPRNAVWUPBNBO-INIZCTEOSA-N
MW349.88 g/mol
LogP5.25
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide

(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide (PubChem CID 92682680) has the molecular formula C18H20ClNO2S and a molecular weight of 349.88 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
PubChem CID92682680
Molecular FormulaC18H20ClNO2S
Molecular Weight349.88 g/mol
Exact Mass349.09
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1
InChIInChI=1S/C18H20ClNO2S/c1-3-16(22-14-9-7-8-13(19)12-14)18(21)20-15-10-5-6-11-17(15)23-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyVQPRNAVWUPBNBO-INIZCTEOSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2S)-2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 99949605
2-(3-chlorophenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]butanamide
CID 132610349

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide (CID 92682680) is (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide is CCSc1ccccc1NC(=O)[C@H](CC)Oc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide?
The InChIKey is VQPRNAVWUPBNBO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO2S/c1-3-16(22-14-9-7-8-13(19)12-14)18(21)20-15-10-5-6-11-17(15)23-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide has a molecular weight of 349.88 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide is sourced from PubChem (CID 92682680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).