(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide

C17H27NO2S — CID 28571801

IUPAC(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1C
InChIInChI=1S/C17H27NO2S/c1-12-8-7-9-15(13(12)2)20-14(3)16(19)18-10-11-21-17(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyBWIZNSKYEBCEPJ-CQSZACIVSA-N
MW309.48 g/mol
LogP3.72
Rot. Bonds6

About (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide

(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 28571801) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
PubChem CID28571801
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1C
InChIInChI=1S/C17H27NO2S/c1-12-8-7-9-15(13(12)2)20-14(3)16(19)18-10-11-21-17(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,18,19)/t14-/m1/s1
InChIKeyBWIZNSKYEBCEPJ-CQSZACIVSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
N'-[2-(2,3-dimethylphenoxy)propanoyl]-2,2-dimethylpropanehydrazide
CID 43007803
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
2-(2,3-dimethylphenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
CID 121058977
(2S)-2-(2,3-dimethylphenoxy)propanoyl chloride
CID 51663755

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide (CID 28571801) is (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1C.
What is the InChIKey of (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is BWIZNSKYEBCEPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-12-8-7-9-15(13(12)2)20-14(3)16(19)18-10-11-21-17(4,5)6/h7-9,14H,10-11H2,1-6H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide?
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 309.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 28571801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).