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

C17H18ClNO2S — CID 99952784

IUPAC(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H18ClNO2S/c1-3-16(21-14-8-4-6-12(18)10-14)17(20)19-13-7-5-9-15(11-13)22-2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyVGJILXCZVWTZLW-INIZCTEOSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds6

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

(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide (PubChem CID 99952784) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
PubChem CID99952784
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H18ClNO2S/c1-3-16(21-14-8-4-6-12(18)10-14)17(20)19-13-7-5-9-15(11-13)22-2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyVGJILXCZVWTZLW-INIZCTEOSA-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

(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
CID 133239980
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
2-(2,4-dimethylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 132651398
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide (CID 99952784) is (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide?
The InChIKey is VGJILXCZVWTZLW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-3-16(21-14-8-4-6-12(18)10-14)17(20)19-13-7-5-9-15(11-13)22-2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide 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-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 99952784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).