(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide

C21H27NO2S — CID 38005426

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2S/c1-6-25-19-10-8-7-9-18(19)22-20(23)15(2)24-17-13-11-16(12-14-17)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m1/s1
InChIKeyIJKKGIMSKCPTDA-OAHLLOKOSA-N
MW357.52 g/mol
LogP5.50
Rot. Bonds6

About (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 38005426) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID38005426
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H27NO2S/c1-6-25-19-10-8-7-9-18(19)22-20(23)15(2)24-17-13-11-16(12-14-17)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m1/s1
InChIKeyIJKKGIMSKCPTDA-OAHLLOKOSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-tert-butylphenoxy)propanamide
CID 78810376
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
N-(2-ethylsulfanylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133210230
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
N-(2-benzoylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 132661546
2-(4-tert-butylphenoxy)-N-[2-(dimethylsulfamoyl)phenyl]propanamide
CID 55984335
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide (CID 38005426) is (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is IJKKGIMSKCPTDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-6-25-19-10-8-7-9-18(19)22-20(23)15(2)24-17-13-11-16(12-14-17)21(3,4)5/h7-15H,6H2,1-5H3,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 357.52 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 38005426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).