(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide

C16H25NO3S — CID 28635088

IUPAC(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C16H25NO3S/c1-12(15(18)17-9-10-21-16(2,3)4)20-14-8-6-7-13(11-14)19-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyGSVJAVFSHGLDDR-GFCCVEGCSA-N
MW311.45 g/mol
LogP3.11
Rot. Bonds7

About (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide

(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide (PubChem CID 28635088) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
PubChem CID28635088
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1
InChIInChI=1S/C16H25NO3S/c1-12(15(18)17-9-10-21-16(2,3)4)20-14-8-6-7-13(11-14)19-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)/t12-/m1/s1
InChIKeyGSVJAVFSHGLDDR-GFCCVEGCSA-N
XLogP3.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
N-(2-tert-butylsulfanylethyl)-3-methoxybenzamide
CID 71879808
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
2-(3-methoxyphenoxy)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 43915835
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
(2R)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(3-methoxyphenoxy)propanamide
CID 92684620

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide (CID 28635088) is (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1.
What is the InChIKey of (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide?
The InChIKey is GSVJAVFSHGLDDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-12(15(18)17-9-10-21-16(2,3)4)20-14-8-6-7-13(11-14)19-5/h6-8,11-12H,9-10H2,1-5H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide?
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide has a molecular weight of 311.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 28635088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).