N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide

C17H19NO2S — CID 132650139

IUPACN-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
SMILESCCSc1ccccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-21-16-12-8-7-11-15(16)18-17(19)13(2)20-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyCOTNCCMYWPQUHZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.20
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide

N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide (PubChem CID 132650139) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
PubChem CID132650139
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
SMILESCCSc1ccccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C17H19NO2S/c1-3-21-16-12-8-7-11-15(16)18-17(19)13(2)20-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyCOTNCCMYWPQUHZ-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 38005426
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
N-(2-ethylsulfanylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210230
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
N-[2-[[(2R)-2-phenoxypropanoyl]amino]phenyl]butanamide
CID 1255249
N-[2-(2-phenoxypropanoylamino)phenyl]butanamide
CID 2977242
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2R)-N-(2-iodophenyl)-2-phenoxypropanamide
CID 1124071
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide (CID 132650139) is N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide is CCSc1ccccc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide?
The InChIKey is COTNCCMYWPQUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-3-21-16-12-8-7-11-15(16)18-17(19)13(2)20-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide?
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide has a molecular weight of 301.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 132650139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).