N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide

C18H21NO2S — CID 132650621

IUPACN-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
SMILESCCSc1ccccc1NC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-3-16(21-14-10-6-5-7-11-14)18(20)19-15-12-8-9-13-17(15)22-4-2/h5-13,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyUORAPWCDEAUCAK-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.59
Rot. Bonds7

About N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide

N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide (PubChem CID 132650621) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
PubChem CID132650621
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
SMILESCCSc1ccccc1NC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C18H21NO2S/c1-3-16(21-14-10-6-5-7-11-14)18(20)19-15-12-8-9-13-17(15)22-4-2/h5-13,16H,3-4H2,1-2H3,(H,19,20)
InChIKeyUORAPWCDEAUCAK-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 92682680
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2R)-N-naphthalen-1-yl-2-phenoxybutanamide
CID 904123
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-[[(2S)-2-phenoxybutanoyl]amino]benzamide
CID 898266
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
(2R)-N-[4-methyl-2-[[(2R)-2-phenoxybutanoyl]amino]phenyl]-2-phenoxybutanamide
CID 1293024
2-phenoxy-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 42922033

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide (CID 132650621) is N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide is CCSc1ccccc1NC(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide?
The InChIKey is UORAPWCDEAUCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-16(21-14-10-6-5-7-11-14)18(20)19-15-12-8-9-13-17(15)22-4-2/h5-13,16H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide?
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide has a molecular weight of 315.44 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide is sourced from PubChem (CID 132650621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).