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

C17H18ClNO2S — CID 43915885

IUPAC2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC
InChIInChI=1S/C17H18ClNO2S/c1-3-15(21-13-8-6-7-12(18)11-13)17(20)19-14-9-4-5-10-16(14)22-2/h4-11,15H,3H2,1-2H3,(H,19,20)
InChIKeySEXURHPKBXALBL-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds6

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

2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide (PubChem CID 43915885) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
PubChem CID43915885
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC
InChIInChI=1S/C17H18ClNO2S/c1-3-15(21-13-8-6-7-12(18)11-13)17(20)19-14-9-4-5-10-16(14)22-2/h4-11,15H,3H2,1-2H3,(H,19,20)
InChIKeySEXURHPKBXALBL-UHFFFAOYSA-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-(2-ethylsulfanylphenyl)butanamide
CID 92682680
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
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
N-butan-2-yl-2-[2-(3-chlorophenoxy)butanoylamino]benzamide
CID 46772085
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide (CID 43915885) is 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1SC.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The InChIKey is SEXURHPKBXALBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-3-15(21-13-8-6-7-12(18)11-13)17(20)19-14-9-4-5-10-16(14)22-2/h4-11,15H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide?
2-(3-chlorophenoxy)-N-(2-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 2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 43915885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).